#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4k n SER 3 N 0.00 -1.12 -0.35 4.39 3.41 -1.26 -4.78 113.62 113.91 3a4k n SER 3 Ca 0.00 0.55 0.02 0.00 -0.26 0.00 0.00 58.87 59.19 3a4k n SER 3 Cb 0.00 -1.24 0.18 0.00 -0.26 0.00 0.00 64.21 62.89 3a4k n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a4k h ALA 4 N -0.58 1.41 -0.12 7.33 0.00 -1.94 -2.12 119.26 123.24 3a4k h ALA 4 Ca -0.45 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.46 3a4k h ALA 4 Cb 1.33 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3a4k h ALA 4 CO 0.42 0.46 -0.09 1.25 0.00 0.00 0.00 179.25 181.29 3a4k h LEU 5 N 1.17 -0.28 -0.61 0.00 5.85 -1.91 0.24 115.31 119.76 3a4k h LEU 5 Ca 0.41 0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.22 3a4k h LEU 5 Cb 0.11 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3a4k h LEU 5 CO -0.15 -0.12 0.36 -0.33 -0.34 0.00 0.00 178.44 177.87 3a4k h GLU 6 N -0.10 0.69 -0.67 1.25 5.08 -1.83 0.53 114.58 119.53 3a4k h GLU 6 Ca 0.08 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3a4k h GLU 6 Cb 0.21 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3a4k h GLU 6 CO -0.18 0.46 0.28 0.87 -1.00 0.00 0.00 179.01 179.43 3a4k h LYS 7 N 0.71 0.97 0.01 2.33 1.57 -1.06 -2.03 116.57 119.07 3a4k h LYS 7 Ca 0.25 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3a4k h LYS 7 Cb 0.06 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3a4k h LYS 7 CO -0.12 0.78 -0.01 1.25 -0.57 0.00 0.00 179.45 180.78 3a4k h LEU 8 N 0.96 -0.01 -1.45 2.94 5.85 0.88 -1.87 115.31 122.60 3a4k h LEU 8 Ca 0.23 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3a4k h LEU 8 Cb 0.16 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3a4k h LEU 8 CO -0.02 0.04 0.06 -0.07 -0.34 0.00 0.00 178.44 178.11 3a4k h LEU 9 N -0.07 0.38 -0.08 2.25 3.38 -0.69 0.18 115.31 120.66 3a4k h LEU 9 Ca -0.00 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 3a4k h LEU 9 Cb 0.06 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.72 3a4k h LEU 9 CO 0.00 0.40 -0.49 0.28 0.09 0.00 0.00 178.44 178.72 3a4k h SER 10 N 0.41 0.57 -0.45 -0.43 0.02 -1.29 -1.90 113.55 110.48 3a4k h SER 10 Ca 0.10 -0.66 0.07 0.00 -0.84 0.00 0.00 61.79 60.46 3a4k h SER 10 Cb 0.18 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.49 3a4k h SER 10 CO -0.00 1.14 0.11 0.25 -1.14 0.00 0.00 176.83 177.19 3a4k h LEU 11 N 0.05 0.06 -1.02 5.07 5.85 -0.99 -2.45 115.31 121.88 3a4k h LEU 11 Ca -0.04 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3a4k h LEU 11 Cb 1.14 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 3a4k h LEU 11 CO 0.10 0.06 0.66 0.40 -0.34 0.00 0.00 178.44 179.33 3a4k h ILE 12 N 0.26 1.22 -0.35 4.05 2.04 -0.90 -2.03 117.51 121.79 3a4k h ILE 12 Ca 0.22 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.67 3a4k h ILE 12 Cb 0.26 -0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.09 3a4k h ILE 12 CO -0.27 0.24 0.12 -0.08 0.00 0.00 0.00 178.15 178.17 3a4k h GLU 13 N 1.32 0.27 -0.94 2.37 4.57 -0.86 -0.88 114.58 120.43 3a4k h GLU 13 Ca 0.38 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.54 3a4k h GLU 13 Cb -0.09 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.40 3a4k h GLU 13 CO -0.10 0.18 0.58 -0.91 -1.18 0.00 0.00 179.01 177.57 3a4k h ASN 14 N 0.27 1.12 1.05 1.04 -0.26 -1.34 -3.11 115.58 114.35 3a4k h ASN 14 Ca 0.16 -0.06 -0.04 0.00 -0.56 0.00 0.00 56.30 55.80 3a4k h ASN 14 Cb 0.13 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 3a4k h ASN 14 CO -0.16 0.85 -0.18 -0.07 -1.06 0.00 0.00 177.43 176.81 3a4k h LEU 15 N 1.29 0.00 -0.80 1.61 4.07 -0.88 -3.36 115.31 117.24 3a4k h LEU 15 Ca 0.34 0.00 0.19 0.00 0.08 0.00 0.00 57.88 58.49 3a4k h LEU 15 Cb -0.07 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 41.54 3a4k h LEU 15 CO -0.07 0.18 0.14 0.74 -1.08 0.00 0.00 178.44 178.36 3a4k h THR 16 N 0.00 0.37 -0.23 0.22 2.02 -1.10 -0.03 112.91 114.16 3a4k h THR 16 Ca -0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3a4k h THR 16 Cb 0.75 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3a4k h THR 16 CO 0.02 0.03 0.00 0.59 0.37 0.00 0.00 175.52 176.54 3a4k n ASN 17 N -5.25 2.01 -4.89 4.18 4.13 -1.26 -4.93 115.26 109.26 3a4k n ASN 17 Ca 0.17 -1.80 -0.30 0.00 1.68 0.00 0.00 54.58 54.34 3a4k n ASN 17 Cb 0.56 -0.15 0.02 0.00 -1.54 0.00 0.00 39.78 38.67 3a4k n ASN 17 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3a4k s GLN 18 N -1.70 3.26 0.26 3.52 -0.21 -0.03 -5.04 119.66 119.72 3a4k s GLN 18 Ca 0.32 0.47 -0.31 0.00 0.02 0.00 0.00 55.36 55.87 3a4k s GLN 18 Cb 0.18 -2.13 -0.12 0.00 1.00 0.00 0.00 33.01 31.93 3a4k s GLN 18 CO 0.26 -0.68 1.57 0.39 -2.12 0.00 0.00 175.29 174.70 3a4k n GLU 19 N -2.74 2.51 -0.29 2.91 -0.58 -1.26 -4.82 120.64 116.37 3a4k n GLU 19 Ca 0.05 0.89 -0.03 0.00 -0.42 0.00 0.00 57.16 57.66 3a4k n GLU 19 Cb 0.56 -2.65 0.08 0.00 -0.57 0.00 0.00 31.44 28.86 3a4k n GLU 19 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 3a4k h PHE 20 N 5.01 0.97 -0.38 -0.32 3.57 -1.95 0.95 116.94 124.78 3a4k h PHE 20 Ca -0.46 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.04 3a4k h PHE 20 Cb 1.24 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 3a4k h PHE 20 CO 0.59 0.58 0.13 0.87 -2.23 0.00 0.00 178.31 178.25 3a4k h LYS 21 N 1.02 0.55 0.07 1.11 1.79 -2.00 0.66 116.57 119.78 3a4k h LYS 21 Ca 0.30 -0.08 -0.28 0.00 -2.18 0.00 0.00 60.65 58.42 3a4k h LYS 21 Cb -0.05 -0.10 0.02 0.00 -1.58 0.00 0.00 32.23 30.52 3a4k h LYS 21 CO -0.09 0.48 -1.15 1.96 -1.08 0.00 0.00 179.45 179.56 3a4k h GLN 22 N 0.54 0.60 -0.64 3.15 1.08 -1.70 -2.62 115.11 115.52 3a4k h GLN 22 Ca 0.13 -0.74 0.09 0.00 -1.45 0.00 0.00 58.65 56.68 3a4k h GLN 22 Cb 0.15 0.23 -0.07 0.00 -0.05 0.00 0.00 27.48 27.75 3a4k h GLN 22 CO -0.01 1.32 0.27 0.00 -0.95 0.00 0.00 178.83 179.47 3a4k h ALA 23 N 0.40 0.84 -0.52 3.87 0.00 -0.56 -1.50 119.26 121.80 3a4k h ALA 23 Ca -0.16 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3a4k h ALA 23 Cb 1.82 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 3a4k h ALA 23 CO 0.22 -0.13 -0.14 1.79 0.00 0.00 0.00 179.25 180.98 3a4k h THR 24 N 0.48 1.27 -0.82 0.00 1.35 -0.80 -0.12 112.91 114.27 3a4k h THR 24 Ca 0.32 -1.30 0.05 0.00 -0.55 0.00 0.00 66.41 64.93 3a4k h THR 24 Cb 0.36 1.02 -0.06 0.00 -1.73 0.00 0.00 68.15 67.74 3a4k h THR 24 CO -0.28 0.46 0.51 0.78 -0.25 0.00 0.00 175.52 176.74 3a4k h ASN 25 N 0.88 0.82 -0.05 5.36 2.35 -1.17 -0.16 115.58 123.61 3a4k h ASN 25 Ca 0.13 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 3a4k h ASN 25 Cb 0.71 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 3a4k h ASN 25 CO 0.05 0.54 -0.21 0.28 -1.65 0.00 0.00 177.43 176.44 3a4k h SER 26 N 0.96 0.43 -0.66 5.81 0.02 -0.79 -1.81 113.55 117.51 3a4k h SER 26 Ca 0.35 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 3a4k h SER 26 Cb 0.11 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 3a4k h SER 26 CO -0.15 0.65 0.35 -0.07 -1.14 0.00 0.00 176.83 176.47 3a4k h LEU 27 N 0.39 0.84 0.08 5.07 3.38 0.12 -1.84 115.31 123.35 3a4k h LEU 27 Ca 0.06 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3a4k h LEU 27 Cb 0.59 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3a4k h LEU 27 CO 0.04 0.71 -0.04 0.40 0.09 0.00 0.00 178.44 179.64 3a4k h ILE 28 N 0.91 1.02 -0.36 1.22 2.04 -0.64 -1.28 117.51 120.43 3a4k h ILE 28 Ca 0.23 -0.35 0.08 0.00 1.00 0.00 0.00 64.86 65.82 3a4k h ILE 28 Cb 0.06 1.25 -0.09 0.00 -0.74 0.00 0.00 36.82 37.31 3a4k h ILE 28 CO -0.03 0.09 -0.30 -1.28 0.00 0.00 0.00 178.15 176.62 3a4k h SER 29 N -0.26 -1.00 -0.20 1.72 0.87 -1.36 0.37 113.55 113.69 3a4k h SER 29 Ca -0.01 0.18 0.05 0.00 -1.23 0.00 0.00 61.79 60.78 3a4k h SER 29 Cb 0.22 0.47 -0.05 0.00 -0.44 0.00 0.00 62.40 62.60 3a4k h SER 29 CO 0.02 -0.31 -0.13 0.15 -0.53 0.00 0.00 176.83 176.03 3a4k h PHE 30 N -0.25 -0.31 -0.06 2.24 3.57 -1.20 -2.82 116.94 118.10 3a4k h PHE 30 Ca 0.16 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.49 3a4k h PHE 30 Cb 0.52 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 3a4k h PHE 30 CO -0.50 -0.19 -0.79 0.82 -2.23 0.00 0.00 178.31 175.41 3a4k h ILE 31 N -0.12 1.38 0.00 1.41 2.04 -0.74 -3.05 117.51 118.42 3a4k h ILE 31 Ca 0.11 -2.21 -0.08 0.00 1.00 0.00 0.00 64.86 63.68 3a4k h ILE 31 Cb 0.29 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 3a4k h ILE 31 CO -0.27 0.67 -0.40 1.88 0.00 0.00 0.00 178.15 180.02 3a4k h TYR 32 N 0.29 0.00 0.05 1.37 0.99 -0.23 -3.00 116.97 116.44 3a4k h TYR 32 Ca -0.05 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.46 3a4k h TYR 32 Cb 1.39 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 39.11 3a4k h TYR 32 CO 0.05 0.40 -1.03 0.87 -0.00 0.00 0.00 178.16 178.45 3a4k h LYS 33 N 0.00 0.19 -5.65 4.88 1.57 -1.53 -3.46 116.57 112.57 3a4k h LYS 33 Ca -0.00 -0.26 -0.70 0.00 -1.87 0.00 0.00 60.65 57.81 3a4k h LYS 33 Cb 0.78 0.09 0.07 0.00 0.08 0.00 0.00 32.23 33.25 3a4k h LYS 33 CO 0.05 1.06 -0.17 1.28 -0.57 0.00 0.00 179.45 181.11 3a4k n LEU 34 N -3.55 -0.48 -4.58 2.94 4.32 -1.13 -4.96 117.00 109.56 3a4k n LEU 34 Ca -0.05 1.08 -0.29 0.00 -0.02 0.00 0.00 56.01 56.73 3a4k n LEU 34 Cb 0.91 -0.88 0.22 0.00 -1.62 0.00 0.00 43.42 42.06 3a4k n LEU 34 CO 0.50 -2.21 0.58 0.54 -1.22 0.00 0.00 177.39 175.58 3a4k s ASN 35 N -0.38 1.41 0.12 -1.43 2.20 -1.26 -4.73 114.94 110.87 3a4k s ASN 35 Ca 0.75 1.06 -0.24 0.00 -0.94 0.00 0.00 52.86 53.49 3a4k s ASN 35 Cb -1.07 -1.62 -0.07 0.00 -2.00 0.00 0.00 41.25 36.50 3a4k s ASN 35 CO 0.53 -3.87 1.67 -0.09 -2.94 0.00 0.00 177.10 172.40 3a4k h ARG 36 N -2.40 -0.28 0.00 3.55 2.43 -1.99 -0.89 114.38 114.81 3a4k h ARG 36 Ca -0.53 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.61 3a4k h ARG 36 Cb 1.33 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.93 3a4k h ARG 36 CO 0.48 -0.18 -0.22 -0.91 -1.51 0.00 0.00 179.97 177.62 3a4k h ASN 37 N -0.29 0.00 -0.13 -3.80 2.35 -1.99 -0.37 115.58 111.36 3a4k h ASN 37 Ca 0.05 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 3a4k h ASN 37 Cb 0.35 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 3a4k h ASN 37 CO -0.15 0.22 -0.10 -0.33 -1.65 0.00 0.00 177.43 175.42 3a4k h GLU 38 N 0.00 0.30 -0.15 0.81 5.08 -1.83 -1.66 114.58 117.12 3a4k h GLU 38 Ca -0.00 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3a4k h GLU 38 Cb 0.52 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 3a4k h GLU 38 CO 0.03 0.67 -0.08 0.28 -1.00 0.00 0.00 179.01 178.91 3a4k h VAL 39 N -0.07 0.75 -0.85 3.13 2.07 -0.46 0.24 116.25 121.06 3a4k h VAL 39 Ca 0.02 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.68 3a4k h VAL 39 Cb 0.60 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 31.03 3a4k h VAL 39 CO 0.03 0.00 0.44 0.40 0.02 0.00 0.00 177.57 178.46 3a4k h ILE 40 N -0.07 0.75 -0.59 4.57 2.04 -1.13 0.08 117.51 123.17 3a4k h ILE 40 Ca 0.09 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 3a4k h ILE 40 Cb 0.19 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 3a4k h ILE 40 CO -0.19 0.12 -0.03 -0.08 0.00 0.00 0.00 178.15 177.97 3a4k h GLU 41 N 0.64 1.06 -0.25 2.37 4.81 -0.49 -1.64 114.58 121.09 3a4k h GLU 41 Ca 0.46 -0.35 -0.15 0.00 -0.13 0.00 0.00 59.36 59.19 3a4k h GLU 41 Cb 0.62 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3a4k h GLU 41 CO -0.35 1.05 -0.45 1.25 -0.73 0.00 0.00 179.01 179.79 3a4k h LEU 42 N 0.96 0.68 -0.60 1.64 5.85 -0.38 -2.15 115.31 121.30 3a4k h LEU 42 Ca 0.16 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.59 3a4k h LEU 42 Cb 0.59 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 3a4k h LEU 42 CO 0.04 1.03 0.36 0.58 -0.34 0.00 0.00 178.44 180.11 3a4k h VAL 43 N 0.51 1.05 0.00 1.05 2.07 -0.77 0.40 116.25 120.56 3a4k h VAL 43 Ca 0.03 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3a4k h VAL 43 Cb 0.98 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3a4k h VAL 43 CO 0.09 0.13 -0.05 0.03 0.02 0.00 0.00 177.57 177.79 3a4k h ARG 44 N 0.70 0.00 0.01 1.57 3.08 -1.08 -3.31 114.38 115.36 3a4k h ARG 44 Ca 0.25 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.92 3a4k h ARG 44 Cb 0.05 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.03 3a4k h ARG 44 CO -0.11 0.05 -2.36 0.43 -1.07 0.00 0.00 179.97 176.91 3a4k n SER 45 N -3.88 0.90 0.31 7.04 7.64 -0.55 -4.59 113.62 120.49 3a4k n SER 45 Ca -0.03 -0.01 0.20 0.00 1.01 0.00 0.00 58.87 60.04 3a4k n SER 45 Cb 0.14 0.31 1.00 0.00 -1.01 0.00 0.00 64.21 64.65 3a4k n SER 45 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3a4k h ILE 46 N 0.00 0.03 0.00 0.44 6.09 -0.34 -2.68 117.51 121.05 3a4k h ILE 46 Ca -0.54 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 62.74 3a4k h ILE 46 Cb 2.09 1.21 0.00 0.00 0.47 0.00 0.00 36.82 40.59 3a4k h ILE 46 CO -0.01 0.00 0.00 1.23 -3.07 0.00 0.00 178.15 176.31 3a4k h GLY 47 N 0.82 0.00 -7.37 8.18 0.00 -1.81 -3.42 103.07 99.47 3a4k h GLY 47 Ca -0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 3a4k h GLY 47 CO 0.00 0.00 -0.62 -0.42 0.00 0.00 0.00 176.54 175.50 3a4k s ILE 48 N -3.19 4.04 0.34 2.60 1.01 -1.01 -1.79 121.20 123.20 3a4k s ILE 48 Ca 0.08 -0.58 -0.27 0.00 0.00 0.00 0.00 60.65 59.88 3a4k s ILE 48 Cb 0.11 -3.04 -0.09 0.00 0.01 0.00 0.00 42.46 39.45 3a4k s ILE 48 CO 0.53 0.14 1.12 -0.76 0.00 0.00 0.00 174.94 175.97 3a4k s LEU 49 N 1.53 4.37 0.36 2.97 1.43 -0.59 -4.94 118.68 123.81 3a4k s LEU 49 Ca 0.03 2.26 -0.27 0.00 -1.03 0.00 0.00 54.13 55.13 3a4k s LEU 49 Cb -0.17 -3.85 -0.09 0.00 0.03 0.00 0.00 46.19 42.11 3a4k s LEU 49 CO 0.03 -0.37 1.27 -2.84 0.23 0.00 0.00 176.35 174.66 3a4k s PRO 50 N -1.91 4.19 0.54 1.29 0.02 -1.26 -4.36 135.00 133.51 3a4k s PRO 50 Ca 0.51 2.11 0.21 0.00 0.02 0.00 0.00 61.00 63.85 3a4k s PRO 50 Cb -0.30 -2.91 1.43 0.00 0.02 0.00 0.00 34.50 32.74 3a4k s PRO 50 CO 0.38 -0.29 2.14 0.93 -0.33 0.00 0.00 177.00 179.84 3a4k h GLU 51 N 3.05 0.00 0.00 5.54 4.39 -1.95 -2.59 114.58 123.01 3a4k h GLU 51 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3a4k h GLU 51 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3a4k h GLU 51 CO 0.64 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 178.49 3a4k n ALA 52 N -2.50 2.24 -2.71 3.43 0.00 -1.26 -4.63 120.51 115.09 3a4k n ALA 52 Ca -0.01 -0.09 -0.39 0.00 0.00 0.00 0.00 53.44 52.95 3a4k n ALA 52 Cb 0.18 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 3a4k n ALA 52 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3a4k s ILE 53 N -3.01 5.08 0.11 0.00 1.01 -0.98 -5.03 121.20 118.38 3a4k s ILE 53 Ca 0.13 1.26 -0.31 0.00 0.00 0.00 0.00 60.65 61.73 3a4k s ILE 53 Cb 0.17 -3.96 -0.08 0.00 0.01 0.00 0.00 42.46 38.60 3a4k s ILE 53 CO 0.50 0.25 1.42 -0.75 0.00 0.00 0.00 174.94 176.36 3a4k s LYS 54 N 0.94 4.30 0.40 2.79 2.20 -1.26 -4.92 119.74 124.19 3a4k s LYS 54 Ca 0.33 2.10 -0.27 0.00 -0.36 0.00 0.00 55.97 57.77 3a4k s LYS 54 Cb -0.17 -3.29 -0.10 0.00 -1.51 0.00 0.00 37.83 32.76 3a4k s LYS 54 CO 0.14 -0.48 1.41 -2.30 -0.36 0.00 0.00 175.35 173.76 3a4k n PRO 55 N 4.17 2.36 -0.92 4.03 -0.02 -1.26 -2.49 135.00 140.88 3a4k n PRO 55 Ca 0.12 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3a4k n PRO 55 Cb 0.42 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 3a4k n PRO 55 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3a4k n SER 56 N 0.28 -0.26 -4.91 2.55 7.64 -1.26 -5.03 113.62 112.63 3a4k n SER 56 Ca 0.04 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.64 3a4k n SER 56 Cb 0.39 -0.47 0.07 0.00 -1.01 0.00 0.00 64.21 63.19 3a4k n SER 56 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3a4k s SER 57 N -2.77 4.90 0.26 6.43 1.04 -1.04 -4.92 113.70 117.61 3a4k s SER 57 Ca 0.00 0.65 -0.02 0.00 0.48 0.00 0.00 55.95 57.06 3a4k s SER 57 Cb 0.00 -1.32 0.42 0.00 0.10 0.00 0.00 66.02 65.22 3a4k s SER 57 CO 0.00 -1.58 1.86 0.74 0.98 0.00 0.00 173.24 175.24 3a4k h THR 58 N -0.67 1.04 -0.70 2.02 2.02 -1.95 -2.70 112.91 111.96 3a4k h THR 58 Ca -0.45 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 66.40 3a4k h THR 58 Cb 1.30 -0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.52 3a4k h THR 58 CO 0.62 0.20 0.43 1.56 0.37 0.00 0.00 175.52 178.70 3a4k h GLN 59 N 1.09 0.80 -0.52 6.66 4.20 -1.92 0.25 115.11 125.67 3a4k h GLN 59 Ca 0.44 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 59.14 3a4k h GLN 59 Cb 0.24 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 3a4k h GLN 59 CO -0.20 0.53 0.28 1.49 -0.67 0.00 0.00 178.83 180.26 3a4k h GLU 60 N 0.82 0.52 -0.39 1.46 4.81 -1.73 -0.73 114.58 119.35 3a4k h GLU 60 Ca 0.29 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 3a4k h GLU 60 Cb 0.08 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3a4k h GLU 60 CO -0.13 0.35 0.06 0.87 -0.73 0.00 0.00 179.01 179.42 3a4k h LYS 61 N 0.54 0.60 -0.51 1.92 1.57 -1.03 0.10 116.57 119.75 3a4k h LYS 61 Ca 0.22 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 3a4k h LYS 61 Cb 0.11 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3a4k h LYS 61 CO -0.14 0.58 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.09 3a4k h LEU 62 N 0.58 1.02 -0.54 2.94 3.38 -0.23 0.18 115.31 122.64 3a4k h LEU 62 Ca 0.13 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.59 3a4k h LEU 62 Cb 0.28 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3a4k h LEU 62 CO 0.00 1.16 -0.32 0.15 0.09 0.00 0.00 178.44 179.53 3a4k h PHE 63 N 0.88 0.98 -0.20 1.13 3.57 -0.56 -0.57 116.94 122.16 3a4k h PHE 63 Ca 0.12 -0.26 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 3a4k h PHE 63 Cb 0.74 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 3a4k h PHE 63 CO 0.05 1.04 0.07 1.03 -2.23 0.00 0.00 178.31 178.27 3a4k h SER 64 N 0.70 0.29 -0.72 0.41 0.87 -0.66 -2.40 113.55 112.05 3a4k h SER 64 Ca 0.08 -0.18 0.14 0.00 -1.23 0.00 0.00 61.79 60.59 3a4k h SER 64 Cb 0.87 -0.08 -0.10 0.00 -0.44 0.00 0.00 62.40 62.66 3a4k h SER 64 CO 0.08 0.39 0.24 0.50 -0.53 0.00 0.00 176.83 177.51 3a4k h LYS 65 N 0.17 0.36 -0.76 2.24 1.63 -0.87 -0.12 116.57 119.20 3a4k h LYS 65 Ca 0.07 -0.02 0.16 0.00 -0.85 0.00 0.00 60.65 60.00 3a4k h LYS 65 Cb 0.20 -0.08 -0.10 0.00 -0.60 0.00 0.00 32.23 31.65 3a4k h LYS 65 CO -0.00 0.24 0.27 0.00 -3.45 0.00 0.00 179.45 176.50 3a4k h ALA 66 N 1.55 1.07 -0.01 5.00 0.00 -0.98 -0.41 119.26 125.48 3a4k h ALA 66 Ca 0.39 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.45 3a4k h ALA 66 Cb 0.61 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3a4k h ALA 66 CO -0.43 -0.27 -0.07 0.78 0.00 0.00 0.00 179.25 179.27 3a4k h GLY 67 N 0.38 -0.07 0.21 0.00 0.00 -0.57 0.21 103.07 103.23 3a4k h GLY 67 Ca 0.43 0.08 0.13 0.00 0.00 0.00 0.00 47.33 47.97 3a4k h GLY 67 CO -0.45 -0.07 0.32 -0.55 0.00 0.00 0.00 176.54 175.78 3a4k h ASP 68 N -0.11 0.32 -0.12 0.19 3.32 -0.64 -0.83 116.42 118.55 3a4k h ASP 68 Ca 0.03 0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3a4k h ASP 68 Cb 0.15 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3a4k h ASP 68 CO -0.07 0.14 -0.18 0.40 -1.72 0.00 0.00 179.24 177.81 3a4k h ILE 69 N 0.48 1.37 -0.97 0.35 2.04 -0.75 -2.19 117.51 117.84 3a4k h ILE 69 Ca 0.41 -1.41 0.08 0.00 1.00 0.00 0.00 64.86 64.94 3a4k h ILE 69 Cb 0.59 2.02 -0.07 0.00 -0.74 0.00 0.00 36.82 38.62 3a4k h ILE 69 CO -0.38 0.41 0.62 0.58 0.00 0.00 0.00 178.15 179.38 3a4k h VAL 70 N -0.09 1.04 -0.15 1.67 2.07 -0.48 0.54 116.25 120.86 3a4k h VAL 70 Ca 0.01 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 3a4k h VAL 70 Cb 0.74 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3a4k h VAL 70 CO 0.04 0.20 0.03 0.25 0.02 0.00 0.00 177.57 178.11 3a4k h LEU 71 N 1.08 0.23 -0.49 2.57 5.85 -1.06 0.27 115.31 123.76 3a4k h LEU 71 Ca 0.43 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.95 3a4k h LEU 71 Cb 0.26 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3a4k h LEU 71 CO -0.18 0.41 0.26 0.00 -0.34 0.00 0.00 178.44 178.59 3a4k h ALA 72 N 0.83 0.62 -0.34 1.25 0.00 -1.11 0.03 119.26 120.54 3a4k h ALA 72 Ca 0.05 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3a4k h ALA 72 Cb 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3a4k h ALA 72 CO 0.00 -0.07 0.15 -0.22 0.00 0.00 0.00 179.25 179.11 3a4k h LYS 73 N 0.52 0.31 -0.69 0.00 1.63 -0.78 -1.63 116.57 115.94 3a4k h LYS 73 Ca 0.21 -0.02 0.09 0.00 -0.85 0.00 0.00 60.65 60.08 3a4k h LYS 73 Cb 0.08 -0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 31.57 3a4k h LYS 73 CO -0.13 0.21 0.34 0.00 -3.45 0.00 0.00 179.45 176.42 3a4k h ALA 74 N 1.19 0.93 -0.83 5.00 0.00 -0.11 -1.96 119.26 123.50 3a4k h ALA 74 Ca 0.15 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3a4k h ALA 74 Cb 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3a4k h ALA 74 CO -0.12 -0.06 0.54 0.74 0.00 0.00 0.00 179.25 180.36 3a4k h PHE 75 N 0.58 1.04 -0.92 0.00 0.04 -0.64 -1.98 116.94 115.07 3a4k h PHE 75 Ca 0.33 0.02 0.11 0.00 2.80 0.00 0.00 57.97 61.24 3a4k h PHE 75 Cb 0.34 -0.35 -0.07 0.00 2.20 0.00 0.00 35.95 38.07 3a4k h PHE 75 CO -0.11 0.66 0.59 1.96 -0.60 0.00 0.00 178.31 180.81 3a4k h GLN 76 N 1.12 0.85 0.00 1.51 4.20 -0.67 -1.68 115.11 120.45 3a4k h GLN 76 Ca 0.30 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.96 3a4k h GLN 76 Cb -0.12 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.47 3a4k h GLN 76 CO -0.06 0.56 0.00 -0.07 -0.67 0.00 0.00 178.83 178.59 3a4k h LEU 77 N 0.88 0.00 -0.67 1.46 3.38 -0.67 -1.73 115.31 117.95 3a4k h LEU 77 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 3a4k h LEU 77 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3a4k h LEU 77 CO -0.21 0.00 -0.05 0.18 0.09 0.00 0.00 178.44 178.45 3a4k n LEU 78 N -2.47 1.09 -0.56 1.67 4.77 -0.70 -4.76 117.00 116.04 3a4k n LEU 78 Ca 0.03 -0.34 -0.02 0.00 -0.03 0.00 0.00 56.01 55.66 3a4k n LEU 78 Cb 0.35 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3a4k n LEU 78 CO 0.26 0.19 0.01 -3.20 -1.33 0.00 0.00 177.39 173.32 3a4k n ASN 79 N -0.24 -2.03 -4.68 -1.43 5.15 -0.65 -0.23 115.26 111.15 3a4k n ASN 79 Ca 0.18 -0.03 -0.26 0.00 -0.60 0.00 0.00 54.58 53.87 3a4k n ASN 79 Cb 0.31 -0.82 -0.07 0.00 -0.53 0.00 0.00 39.78 38.66 3a4k n ASN 79 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3a4k s LEU 80 N -1.15 3.38 -0.23 1.20 1.02 -0.76 -4.21 118.68 117.92 3a4k s LEU 80 Ca 0.03 -0.37 -0.25 0.00 0.02 0.00 0.00 54.13 53.56 3a4k s LEU 80 Cb -0.01 -2.02 -0.01 0.00 0.02 0.00 0.00 46.19 44.17 3a4k s LEU 80 CO 0.04 0.08 0.85 0.20 0.02 0.00 0.00 176.35 177.54 3a4k s ASN 81 N -2.98 6.88 -0.09 2.29 0.02 0.16 -3.66 114.94 117.57 3a4k s ASN 81 Ca 0.28 1.09 -0.08 0.00 -1.02 0.00 0.00 52.86 53.13 3a4k s ASN 81 Cb -0.09 -2.45 0.02 0.00 0.02 0.00 0.00 41.25 38.75 3a4k s ASN 81 CO 0.19 -0.50 0.23 -0.55 0.02 0.00 0.00 177.10 176.49 3a4k s SER 82 N 1.29 -0.24 0.04 -1.22 0.15 -1.26 0.38 113.70 112.84 3a4k s SER 82 Ca 0.36 0.46 -0.10 0.00 0.70 0.00 0.00 55.95 57.37 3a4k s SER 82 Cb -0.15 0.46 0.01 0.00 -1.71 0.00 0.00 66.02 64.62 3a4k s SER 82 CO 0.08 -0.09 0.21 -1.59 1.20 0.00 0.00 173.24 173.06 3a4k s LYS 83 N 0.24 0.71 0.48 5.44 -2.85 -0.68 -4.82 119.74 118.27 3a4k s LYS 83 Ca -0.01 -0.62 -0.23 0.00 -1.00 0.00 0.00 55.97 54.11 3a4k s LYS 83 Cb -0.03 0.30 -0.07 0.00 -2.06 0.00 0.00 37.83 35.98 3a4k s LYS 83 CO -0.01 -0.21 1.26 -1.25 0.10 0.00 0.00 175.35 175.24 3a4k s PRO 84 N -2.59 3.57 0.39 1.78 0.04 -1.26 -1.76 135.00 135.17 3a4k s PRO 84 Ca -0.05 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.89 3a4k s PRO 84 Cb -0.01 -2.41 -0.07 0.00 0.04 0.00 0.00 34.50 32.05 3a4k s PRO 84 CO -0.04 -0.78 0.77 -0.51 0.04 0.00 0.00 177.00 176.48 3a4k s LEU 85 N -3.10 3.86 0.12 -3.56 1.43 0.20 -4.84 118.68 112.79 3a4k s LEU 85 Ca 0.65 1.17 -0.04 0.00 -1.03 0.00 0.00 54.13 54.89 3a4k s LEU 85 Cb -0.35 -4.04 -0.13 0.00 0.03 0.00 0.00 46.19 41.70 3a4k s LEU 85 CO 0.42 -0.37 1.27 -0.33 0.23 0.00 0.00 176.35 177.57 3a4k h GLU 86 N 1.41 0.36 0.00 1.70 5.08 -1.92 -3.47 114.58 117.74 3a4k h GLU 86 Ca -0.47 -0.43 -0.43 0.00 -1.00 0.00 0.00 59.36 57.03 3a4k h GLU 86 Cb 1.19 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 30.47 3a4k h GLU 86 CO 0.64 1.12 -0.35 0.94 -1.00 0.00 0.00 179.01 180.36 3a4k n GLN 87 N -3.69 0.70 -0.20 2.33 7.27 -1.26 -5.18 117.38 117.36 3a4k n GLN 87 Ca -0.07 -2.63 0.00 0.00 0.07 0.00 0.00 57.00 54.37 3a4k n GLN 87 Cb 0.88 1.36 0.00 0.00 2.41 0.00 0.00 30.24 34.89 3a4k n GLN 87 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3a4k n GLY 89 N 0.00 0.00 4.22 1.69 0.00 -1.26 -4.51 105.19 105.34 3a4k n GLY 89 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 3a4k n GLY 89 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3a4k n ASN 90 N 0.34 -2.51 -3.48 1.61 5.15 -1.26 -4.94 115.26 110.16 3a4k n ASN 90 Ca 0.00 -1.05 -0.10 0.00 -0.60 0.00 0.00 54.58 52.83 3a4k n ASN 90 Cb 0.00 -2.63 -0.02 0.00 -0.53 0.00 0.00 39.78 36.60 3a4k n ASN 90 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3a4k s ALA 91 N -3.44 -1.76 1.03 5.20 0.00 -1.26 -4.93 121.76 116.61 3a4k s ALA 91 Ca 0.61 0.88 -0.07 0.00 0.00 0.00 0.00 51.96 53.37 3a4k s ALA 91 Cb -0.33 0.52 0.10 0.00 0.00 0.00 0.00 23.12 23.40 3a4k s ALA 91 CO 0.94 -0.69 0.51 0.41 0.00 0.00 0.00 175.76 176.92 3a4k n GLY 92 N -0.23 -1.68 0.07 0.00 0.00 -1.26 -5.05 105.19 97.04 3a4k n GLY 92 Ca -0.12 -1.62 -0.06 0.00 0.00 0.00 0.00 46.02 44.22 3a4k n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a4k n ASP 93 N -3.47 1.08 -3.84 1.61 8.00 -0.09 -4.76 116.55 115.07 3a4k n ASP 93 Ca 0.07 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.45 3a4k n ASP 93 Cb 0.24 0.96 -0.12 0.00 -0.02 0.00 0.00 41.12 42.18 3a4k n ASP 93 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3a4k s VAL 94 N -2.45 0.03 0.01 2.53 1.01 -0.81 0.61 120.40 121.34 3a4k s VAL 94 Ca -0.08 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 61.72 3a4k s VAL 94 Cb 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 3a4k s VAL 94 CO 0.66 -0.15 -0.26 -0.51 0.00 0.00 0.00 175.10 174.85 3a4k s ILE 95 N -0.47 2.15 -0.01 2.22 2.07 -0.72 -0.03 121.20 126.41 3a4k s ILE 95 Ca -0.05 -1.24 0.00 0.00 -1.41 0.00 0.00 60.65 57.95 3a4k s ILE 95 Cb -0.04 -1.80 0.02 0.00 0.13 0.00 0.00 42.46 40.78 3a4k s ILE 95 CO 0.01 0.47 0.01 0.00 -1.91 0.00 0.00 174.94 173.52 3a4k s ALA 96 N -0.72 0.10 0.03 1.50 0.00 -0.86 -1.68 121.76 120.12 3a4k s ALA 96 Ca 0.11 0.17 0.09 0.00 0.00 0.00 0.00 51.96 52.33 3a4k s ALA 96 Cb -0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 3a4k s ALA 96 CO 0.01 -0.06 -0.25 -0.51 0.00 0.00 0.00 175.76 174.95 3a4k s LEU 97 N 0.69 2.21 0.36 0.00 1.43 0.16 -1.05 118.68 122.48 3a4k s LEU 97 Ca -0.06 -0.53 -0.27 0.00 -1.03 0.00 0.00 54.13 52.24 3a4k s LEU 97 Cb -0.09 -1.33 -0.09 0.00 0.03 0.00 0.00 46.19 44.71 3a4k s LEU 97 CO -0.02 0.27 1.19 -0.55 0.23 0.00 0.00 176.35 177.47 3a4k s SER 98 N -1.11 6.75 -0.17 2.29 0.15 -0.07 -0.66 113.70 120.87 3a4k s SER 98 Ca 0.12 2.41 -0.05 0.00 0.70 0.00 0.00 55.95 59.13 3a4k s SER 98 Cb -0.10 -2.63 -0.23 0.00 -1.71 0.00 0.00 66.02 61.36 3a4k s SER 98 CO 0.02 -0.52 0.16 0.29 1.20 0.00 0.00 173.24 174.38 3a4k n LYS 99 N 0.50 0.72 0.08 5.44 5.02 -1.26 -4.54 118.16 124.11 3a4k n LYS 99 Ca 0.02 0.24 0.11 0.00 -2.02 0.00 0.00 58.31 56.66 3a4k n LYS 99 Cb 0.45 -1.65 -0.04 0.00 -0.02 0.00 0.00 35.03 33.77 3a4k n LYS 99 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3a4k n GLU 100 N -3.46 0.62 -0.26 1.97 -0.58 -1.26 -4.96 120.64 112.71 3a4k n GLU 100 Ca -0.37 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.43 3a4k n GLU 100 Cb 1.01 -1.76 0.00 0.00 -0.57 0.00 0.00 31.44 30.12 3a4k n GLU 100 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3a4k n PHE 101 N -2.60 0.00 -3.65 -0.32 3.72 -1.26 -4.91 117.46 108.44 3a4k n PHE 101 Ca -0.01 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.11 3a4k n PHE 101 Cb 0.57 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.00 3a4k n PHE 101 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3a4k s ASN 102 N 0.74 3.14 0.06 4.37 0.01 -1.26 -4.70 114.94 117.30 3a4k s ASN 102 Ca 0.00 -3.39 -0.26 0.00 -0.71 0.00 0.00 52.86 48.50 3a4k s ASN 102 Cb 0.00 -1.02 0.09 0.00 0.41 0.00 0.00 41.25 40.73 3a4k s ASN 102 CO 0.00 -0.14 0.77 -0.72 -1.51 0.00 0.00 177.10 175.50 3a4k s TYR 103 N -0.60 -0.43 0.11 2.20 -0.85 -1.26 -5.03 117.35 111.49 3a4k s TYR 103 Ca 0.28 0.28 0.02 0.00 -0.52 0.00 0.00 57.07 57.13 3a4k s TYR 103 Cb -0.02 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 3a4k s TYR 103 CO -0.17 -0.67 -0.07 0.20 -1.52 0.00 0.00 175.55 173.32 3a4k s GLY 104 N -2.56 0.85 0.03 5.49 0.00 -1.26 -0.90 107.32 108.98 3a4k s GLY 104 Ca 0.03 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.36 3a4k s GLY 104 CO -0.10 -1.49 -0.04 0.48 0.00 0.00 0.00 173.10 171.95 3a4k s LEU 105 N -3.08 2.32 -0.11 0.66 0.05 -0.21 -1.43 118.68 116.88 3a4k s LEU 105 Ca 0.13 -0.65 -0.05 0.00 0.05 0.00 0.00 54.13 53.61 3a4k s LEU 105 Cb 0.05 0.09 -0.04 0.00 -2.05 0.00 0.00 46.19 44.24 3a4k s LEU 105 CO -0.03 -0.37 0.07 0.54 -0.55 0.00 0.00 176.35 176.01 3a4k s VAL 106 N -2.17 4.92 0.17 1.48 0.11 -0.34 -2.03 120.40 122.54 3a4k s VAL 106 Ca -0.08 -0.01 0.08 0.00 -2.93 0.00 0.00 61.98 59.03 3a4k s VAL 106 Cb -0.05 -3.12 -0.04 0.00 -1.53 0.00 0.00 36.38 31.64 3a4k s VAL 106 CO -0.03 0.60 -0.16 0.00 -3.33 0.00 0.00 175.10 172.18 3a4k s ALA 107 N -0.86 1.94 -0.07 1.54 0.00 0.95 -0.90 121.76 124.36 3a4k s ALA 107 Ca 0.13 -1.53 -0.00 0.00 0.00 0.00 0.00 51.96 50.56 3a4k s ALA 107 Cb -0.12 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.90 3a4k s ALA 107 CO 0.03 0.15 -0.03 0.34 0.00 0.00 0.00 175.76 176.25 3a4k s ASP 108 N -2.89 1.46 0.20 0.00 -1.08 0.53 -0.91 116.67 113.98 3a4k s ASP 108 Ca 0.17 -0.14 -0.29 0.00 -0.52 0.00 0.00 52.55 51.77 3a4k s ASP 108 Cb -0.04 -0.53 -0.08 0.00 -1.46 0.00 0.00 42.92 40.82 3a4k s ASP 108 CO 0.06 -0.12 0.91 0.00 0.52 0.00 0.00 175.17 176.54 3a4k s ALA 109 N 1.50 3.34 -0.00 3.66 0.00 -1.26 -0.67 121.76 128.32 3a4k s ALA 109 Ca -0.02 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.51 3a4k s ALA 109 Cb -0.13 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.82 3a4k s ALA 109 CO -0.03 0.18 -0.02 0.15 0.00 0.00 0.00 175.76 176.03 3a4k s LYS 110 N -0.93 0.21 0.13 0.00 1.02 0.07 -4.91 119.74 115.34 3a4k s LYS 110 Ca 0.41 -0.07 0.05 0.00 0.02 0.00 0.00 55.97 56.38 3a4k s LYS 110 Cb -0.25 -0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 36.80 3a4k s LYS 110 CO 0.30 0.04 -0.12 -1.12 -0.92 0.00 0.00 175.35 173.53 3a4k s SER 111 N 0.03 1.86 0.03 2.83 0.01 -1.26 -4.06 113.70 113.14 3a4k s SER 111 Ca 0.00 -0.91 -0.02 0.00 1.31 0.00 0.00 55.95 56.32 3a4k s SER 111 Cb -0.02 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.15 3a4k s SER 111 CO -0.00 -0.25 0.02 -0.36 0.41 0.00 0.00 173.24 173.06 3a4k s PHE 112 N -2.75 0.27 0.61 2.43 0.08 -0.74 -4.91 117.98 112.96 3a4k s PHE 112 Ca 0.13 -0.58 -0.17 0.00 0.12 0.00 0.00 56.93 56.43 3a4k s PHE 112 Cb -0.01 -0.20 -0.02 0.00 -0.57 0.00 0.00 43.02 42.22 3a4k s PHE 112 CO 0.02 -0.28 1.11 1.03 -0.10 0.00 0.00 175.22 177.00 3a4k s ARG 113 N -2.20 3.04 0.60 0.44 0.52 -1.26 -1.55 118.95 118.54 3a4k s ARG 113 Ca -0.09 1.46 0.35 0.00 -0.52 0.00 0.00 55.73 56.93 3a4k s ARG 113 Cb -0.04 -1.98 1.94 0.00 0.52 0.00 0.00 34.95 35.40 3a4k s ARG 113 CO -0.03 -1.07 2.25 -0.07 0.02 0.00 0.00 175.30 176.39 3a4k h LEU 114 N 0.49 0.00 -0.08 2.53 3.38 -1.95 -0.89 115.31 118.78 3a4k h LEU 114 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3a4k h LEU 114 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3a4k h LEU 114 CO 0.55 0.02 -0.21 -1.54 0.09 0.00 0.00 178.44 177.35 3a4k n SER 115 N -3.50 0.34 -4.63 -0.43 3.41 -1.26 -4.92 113.62 102.63 3a4k n SER 115 Ca -0.03 -0.12 -0.53 0.00 -0.26 0.00 0.00 58.87 57.94 3a4k n SER 115 Cb 0.12 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 3a4k n SER 115 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3a4k n ARG 116 N -1.31 1.23 0.00 4.33 3.00 -0.34 -4.98 116.66 118.59 3a4k n ARG 116 Ca 0.09 0.45 0.00 0.00 -0.00 0.00 0.00 57.85 58.38 3a4k n ARG 116 Cb 0.32 -2.11 0.00 0.00 0.00 0.00 0.00 32.46 30.67 3a4k n ARG 116 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3a4k n THR 117 N 3.21 0.00 -2.18 5.15 -2.24 -1.26 -4.92 114.28 112.03 3a4k n THR 117 Ca 0.21 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.56 3a4k n THR 117 Cb 0.18 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 3a4k n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a4k s ALA 118 N -4.00 3.59 -0.88 6.98 0.00 -1.26 -4.95 121.76 121.24 3a4k s ALA 118 Ca 0.00 1.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.83 3a4k s ALA 118 Cb 0.00 -3.57 0.21 0.00 0.00 0.00 0.00 23.12 19.76 3a4k s ALA 118 CO 0.00 -0.77 0.87 0.15 0.00 0.00 0.00 175.76 176.01 3a4k s LYS 119 N 1.77 3.67 0.32 0.00 3.01 -1.26 -5.06 119.74 122.19 3a4k s LYS 119 Ca 0.65 -2.42 -0.26 0.00 -1.01 0.00 0.00 55.97 52.92 3a4k s LYS 119 Cb -0.35 -4.53 -0.10 0.00 -1.01 0.00 0.00 37.83 31.85 3a4k s LYS 119 CO 0.29 -1.37 0.96 -0.80 0.51 0.00 0.00 175.35 174.94 3a4k s ASN 120 N 2.33 7.30 0.32 2.83 0.01 -1.26 -4.91 114.94 121.56 3a4k s ASN 120 Ca 0.22 1.89 0.10 0.00 -0.71 0.00 0.00 52.86 54.36 3a4k s ASN 120 Cb -0.09 -2.59 0.94 0.00 0.41 0.00 0.00 41.25 39.92 3a4k s ASN 120 CO -0.09 -0.10 1.67 0.06 -1.51 0.00 0.00 177.10 177.13 3a4k h GLN 121 N 3.22 0.34 -0.17 -0.60 -0.00 -2.02 -0.91 115.11 114.96 3a4k h GLN 121 Ca -0.47 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.12 3a4k h GLN 121 Cb 1.20 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.48 28.59 3a4k h GLN 121 CO 0.65 0.22 -0.11 1.57 -0.00 0.00 0.00 178.83 181.17 3a4k h LYS 122 N 0.35 0.26 0.00 0.06 2.10 -2.03 -2.58 116.57 114.73 3a4k h LYS 122 Ca 0.66 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 59.24 3a4k h LYS 122 Cb 1.42 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 32.71 3a4k h LYS 122 CO -0.59 0.38 -0.09 -0.44 -2.00 0.00 0.00 179.45 176.71 3a4k h ASP 123 N 0.25 0.00 1.85 7.07 3.32 -1.53 -2.64 116.42 124.75 3a4k h ASP 123 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3a4k h ASP 123 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3a4k h ASP 123 CO 0.02 0.09 0.00 -0.26 -1.72 0.00 0.00 179.24 177.37 3a4k h PHE 124 N 0.00 0.00 -6.77 4.55 0.04 -1.49 -3.48 116.94 109.79 3a4k h PHE 124 Ca -0.00 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.21 3a4k h PHE 124 Cb 0.32 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.32 3a4k h PHE 124 CO 0.00 0.00 -0.90 1.63 -0.60 0.00 0.00 178.31 178.44 3a4k n LYS 125 N -3.03 -2.40 -0.02 1.51 5.02 -1.00 -4.85 118.16 113.40 3a4k n LYS 125 Ca 0.04 0.29 -0.12 0.00 -2.02 0.00 0.00 58.31 56.50 3a4k n LYS 125 Cb 0.50 -4.37 -0.07 0.00 -0.02 0.00 0.00 35.03 31.07 3a4k n LYS 125 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3a4k h VAL 126 N -1.69 1.19 -0.00 -0.18 2.07 -1.88 -1.27 116.25 114.49 3a4k h VAL 126 Ca -0.63 -0.60 -0.14 0.00 0.82 0.00 0.00 66.70 66.16 3a4k h VAL 126 Cb 1.39 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 3a4k h VAL 126 CO 0.70 0.17 -0.65 0.11 0.02 0.00 0.00 177.57 177.92 3a4k h LYS 127 N -0.07 0.01 -0.24 1.57 1.57 -1.89 -1.40 116.57 116.12 3a4k h LYS 127 Ca 0.03 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3a4k h LYS 127 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3a4k h LYS 127 CO 0.00 0.65 0.03 0.00 -0.57 0.00 0.00 179.45 179.57 3a4k h ALA 128 N 1.34 0.32 -0.94 3.86 0.00 -1.94 -2.88 119.26 119.02 3a4k h ALA 128 Ca -0.01 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.80 3a4k h ALA 128 Cb 1.14 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 3a4k h ALA 128 CO 0.08 0.01 0.58 1.25 0.00 0.00 0.00 179.25 181.18 3a4k h LEU 129 N 0.20 0.89 -0.51 0.00 5.85 -1.04 -0.64 115.31 120.06 3a4k h LEU 129 Ca 0.07 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.91 3a4k h LEU 129 Cb 0.34 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 3a4k h LEU 129 CO 0.01 0.53 0.07 -1.28 -0.34 0.00 0.00 178.44 177.42 3a4k h SER 130 N 1.00 -0.08 -0.42 1.25 0.87 -1.18 -1.84 113.55 113.16 3a4k h SER 130 Ca 0.43 0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 61.04 3a4k h SER 130 Cb 0.30 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 3a4k h SER 130 CO -0.21 -0.01 0.07 -0.33 -0.53 0.00 0.00 176.83 175.81 3a4k h GLU 131 N 0.19 0.77 0.00 2.24 4.39 -1.11 -2.73 114.58 118.33 3a4k h GLU 131 Ca 0.26 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.79 3a4k h GLU 131 Cb 0.37 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3a4k h GLU 131 CO -0.37 0.73 0.00 0.91 -1.16 0.00 0.00 179.01 179.12 3a4k n TRP 132 N -4.26 0.11 0.25 4.33 8.01 -0.33 -2.63 117.44 122.92 3a4k n TRP 132 Ca 0.03 0.05 0.13 0.00 -1.31 0.00 0.00 57.50 56.40 3a4k n TRP 132 Cb 0.25 -0.58 0.63 0.00 -2.01 0.00 0.00 31.31 29.60 3a4k n TRP 132 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.69 176.75 3a4k h ARG 133 N 0.00 0.00 0.00 -0.99 0.11 -1.28 -3.42 114.38 108.80 3a4k h ARG 133 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3a4k h ARG 133 Cb 0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 3a4k h ARG 133 CO 0.00 0.15 0.00 0.39 0.10 0.00 0.00 179.97 180.61 3a4k n GLU 134 N -3.44 0.00 0.00 0.08 1.02 -1.08 -0.85 120.64 116.37 3a4k n GLU 134 Ca -0.01 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.28 3a4k n GLU 134 Cb 0.32 0.00 0.76 0.00 -0.02 0.00 0.00 31.44 32.50 3a4k n GLU 134 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3a4k n ASP 135 N 7.29 0.04 -4.83 1.62 5.75 -1.26 -4.88 116.55 120.27 3a4k n ASP 135 Ca 0.00 -0.24 -0.32 0.00 -0.01 0.00 0.00 54.79 54.22 3a4k n ASP 135 Cb 0.00 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 3a4k n ASP 135 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3a4k s LYS 136 N -2.52 3.53 -0.05 0.11 3.01 -0.03 -4.99 119.74 118.80 3a4k s LYS 136 Ca 0.30 0.99 -0.24 0.00 -1.01 0.00 0.00 55.97 56.00 3a4k s LYS 136 Cb 0.20 -2.07 -0.24 0.00 -1.01 0.00 0.00 37.83 34.71 3a4k s LYS 136 CO 0.46 -0.62 1.00 -0.44 0.51 0.00 0.00 175.35 176.26 3a4k h ASP 137 N 0.26 0.24 -2.14 2.83 3.32 -1.53 -3.47 116.42 115.93 3a4k h ASP 137 Ca -0.46 -0.80 -0.60 0.00 0.02 0.00 0.00 57.03 55.19 3a4k h ASP 137 Cb 1.20 -0.07 -0.13 0.00 0.22 0.00 0.00 39.33 40.55 3a4k h ASP 137 CO 0.60 1.01 -0.72 -0.31 -1.72 0.00 0.00 179.24 178.10 3a4k s TYR 138 N -3.02 2.40 -0.05 4.55 2.02 -0.53 -5.01 117.35 117.72 3a4k s TYR 138 Ca -0.16 -0.35 -0.00 0.00 -0.37 0.00 0.00 57.07 56.19 3a4k s TYR 138 Cb 0.01 -1.13 0.03 0.00 -0.40 0.00 0.00 41.96 40.46 3a4k s TYR 138 CO 0.75 0.66 0.00 0.00 -1.57 0.00 0.00 175.55 175.39 3a4k s ALA 139 N -2.50 0.46 -0.19 3.71 0.00 -1.26 -1.20 121.76 120.78 3a4k s ALA 139 Ca 0.31 0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.33 3a4k s ALA 139 Cb -0.04 -0.50 0.05 0.00 0.00 0.00 0.00 23.12 22.63 3a4k s ALA 139 CO 0.16 -0.24 -0.05 0.08 0.00 0.00 0.00 175.76 175.71 3a4k s VAL 140 N 1.46 1.27 -0.25 0.00 1.01 -0.08 -0.85 120.40 122.97 3a4k s VAL 140 Ca -0.03 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 3a4k s VAL 140 Cb -0.13 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 3a4k s VAL 140 CO -0.03 0.04 0.37 -0.22 0.00 0.00 0.00 175.10 175.27 3a4k s LEU 141 N 1.54 4.08 -0.37 3.92 0.20 0.88 -0.35 118.68 128.59 3a4k s LEU 141 Ca -0.02 0.36 -0.01 0.00 0.69 0.00 0.00 54.13 55.16 3a4k s LEU 141 Cb -0.17 -2.45 0.10 0.00 -0.43 0.00 0.00 46.19 43.25 3a4k s LEU 141 CO -0.07 -0.14 0.13 -0.89 -0.29 0.00 0.00 176.35 175.09 3a4k s THR 142 N 1.77 2.97 0.36 3.68 2.01 0.16 -0.01 115.64 126.58 3a4k s THR 142 Ca 0.16 -2.01 0.04 0.00 0.31 0.00 0.00 61.69 60.19 3a4k s THR 142 Cb -0.15 -3.01 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 3a4k s THR 142 CO 0.09 -0.56 0.07 0.00 -0.69 0.00 0.00 174.62 173.52 3a4k s ALA 143 N 1.10 2.67 -0.04 7.40 0.00 -1.08 -0.75 121.76 131.06 3a4k s ALA 143 Ca 0.06 -1.79 -0.30 0.00 0.00 0.00 0.00 51.96 49.93 3a4k s ALA 143 Cb -0.21 0.60 -0.05 0.00 0.00 0.00 0.00 23.12 23.46 3a4k s ALA 143 CO -0.05 -0.28 1.40 -2.14 0.00 0.00 0.00 175.76 174.69 3a4k s PRO 144 N -3.84 4.27 0.23 0.00 0.02 -1.26 -2.41 135.00 132.01 3a4k s PRO 144 Ca 0.32 1.93 -0.08 0.00 0.02 0.00 0.00 61.00 63.18 3a4k s PRO 144 Cb 0.07 -3.66 0.24 0.00 0.02 0.00 0.00 34.50 31.17 3a4k s PRO 144 CO 0.15 -0.62 1.87 0.35 -0.33 0.00 0.00 177.00 178.41 3a4k h PHE 145 N 8.10 0.98 -0.00 6.54 3.57 -1.94 -1.23 116.94 132.96 3a4k h PHE 145 Ca -0.36 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.17 3a4k h PHE 145 Cb 1.17 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.58 3a4k h PHE 145 CO 0.78 0.56 0.00 1.19 -2.23 0.00 0.00 178.31 178.61 3a4k n PHE 146 N -4.58 0.00 1.00 0.41 3.72 -1.26 -2.89 117.46 113.86 3a4k n PHE 146 Ca 0.10 -0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.60 3a4k n PHE 146 Cb 0.09 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 3a4k n PHE 146 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3a4k n GLN 147 N -0.92 0.00 -2.10 -1.08 1.13 -0.47 -4.94 117.38 109.00 3a4k n GLN 147 Ca 0.21 -0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.91 3a4k n GLN 147 Cb 0.10 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 28.97 3a4k n GLN 147 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3a4k s TYR 148 N -3.00 2.55 0.41 1.08 2.02 -1.14 -4.93 117.35 114.34 3a4k s TYR 148 Ca 0.09 1.54 -0.26 0.00 -0.37 0.00 0.00 57.07 58.06 3a4k s TYR 148 Cb 0.16 -3.35 -0.10 0.00 -0.40 0.00 0.00 41.96 38.28 3a4k s TYR 148 CO 0.81 -1.84 1.39 -2.30 -1.57 0.00 0.00 175.55 172.04 3a4k n PRO 149 N -1.56 2.27 0.12 -1.71 -0.02 -1.26 -4.91 135.00 127.94 3a4k n PRO 149 Ca 0.12 0.80 0.03 0.00 -2.02 0.00 0.00 63.50 62.43 3a4k n PRO 149 Cb 0.51 -2.55 0.01 0.00 -0.02 0.00 0.00 33.50 31.45 3a4k n PRO 149 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3a4k h THR 150 N 2.45 0.74 0.00 3.45 1.35 -1.95 -3.43 112.91 115.52 3a4k h THR 150 Ca -0.49 -2.09 0.00 0.00 -0.55 0.00 0.00 66.41 63.27 3a4k h THR 150 Cb 1.27 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 70.00 3a4k h THR 150 CO 0.62 0.42 -0.55 0.41 -0.25 0.00 0.00 175.52 176.17 3a4k n THR 151 N -3.15 0.38 -3.50 6.82 -1.04 -1.26 -4.76 114.28 107.77 3a4k n THR 151 Ca 0.00 0.13 -0.16 0.00 -2.04 0.00 0.00 64.05 61.98 3a4k n THR 151 Cb 0.74 -1.38 -0.05 0.00 -1.82 0.00 0.00 70.33 67.81 3a4k n THR 151 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 3a4k s LYS 152 N -2.00 1.07 -0.17 -2.82 -2.85 -1.26 -1.06 119.74 110.66 3a4k s LYS 152 Ca 0.00 0.07 -0.30 0.00 -1.00 0.00 0.00 55.97 54.74 3a4k s LYS 152 Cb 0.00 0.50 0.14 0.00 -2.06 0.00 0.00 37.83 36.41 3a4k s LYS 152 CO 0.00 -0.37 1.05 0.45 0.10 0.00 0.00 175.35 176.58 3a4k s SER 153 N -1.58 -0.31 0.45 0.03 0.15 0.14 -4.90 113.70 107.68 3a4k s SER 153 Ca -0.07 0.30 0.24 0.00 0.70 0.00 0.00 55.95 57.11 3a4k s SER 153 Cb -0.00 0.26 1.24 0.00 -1.71 0.00 0.00 66.02 65.81 3a4k s SER 153 CO 0.04 -0.31 1.81 1.56 1.20 0.00 0.00 173.24 177.54 3a4k h GLN 154 N 2.41 0.25 0.00 5.44 4.20 -1.96 -2.35 115.11 123.10 3a4k h GLN 154 Ca -0.17 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.50 3a4k h GLN 154 Cb 1.17 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.89 3a4k h GLN 154 CO 0.29 0.17 -0.15 -0.84 -0.67 0.00 0.00 178.83 177.63 3a4k h ILE 155 N 0.26 0.50 -0.30 2.54 3.07 -1.92 -0.21 117.51 121.44 3a4k h ILE 155 Ca 0.53 -0.77 -0.17 0.00 1.55 0.00 0.00 64.86 66.00 3a4k h ILE 155 Cb 1.61 1.53 -0.00 0.00 -0.27 0.00 0.00 36.82 39.68 3a4k h ILE 155 CO -0.17 0.15 -0.48 -0.26 -1.05 0.00 0.00 178.15 176.34 3a4k h PHE 156 N 0.00 1.01 -0.21 0.16 0.04 -1.69 -0.99 116.94 115.26 3a4k h PHE 156 Ca -0.00 -0.34 -0.15 0.00 2.80 0.00 0.00 57.97 60.28 3a4k h PHE 156 Cb 0.52 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.47 3a4k h PHE 156 CO 0.00 1.14 -0.47 -0.22 -0.60 0.00 0.00 178.31 178.16 3a4k h LYS 157 N 0.65 0.69 -0.71 1.51 3.64 -1.10 -2.00 116.57 119.24 3a4k h LYS 157 Ca 0.03 -0.46 0.01 0.00 -1.27 0.00 0.00 60.65 58.96 3a4k h LYS 157 Cb 1.07 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.92 3a4k h LYS 157 CO 0.11 1.08 0.47 1.96 -2.27 0.00 0.00 179.45 180.80 3a4k h GLN 158 N 0.39 0.93 -0.29 1.90 4.20 -1.03 0.15 115.11 121.36 3a4k h GLN 158 Ca 0.00 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 3a4k h GLN 158 Cb 1.08 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 3a4k h GLN 158 CO 0.10 0.61 -0.01 1.03 -0.67 0.00 0.00 178.83 179.89 3a4k h SER 159 N 0.95 0.52 -0.23 1.46 0.87 -0.98 -0.92 113.55 115.22 3a4k h SER 159 Ca 0.26 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 3a4k h SER 159 Cb -0.09 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 3a4k h SER 159 CO -0.06 0.71 0.10 -0.07 -0.53 0.00 0.00 176.83 176.98 3a4k h LEU 160 N 0.31 0.30 -0.83 2.23 3.38 -1.01 0.22 115.31 119.90 3a4k h LEU 160 Ca 0.08 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 3a4k h LEU 160 Cb 0.45 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3a4k h LEU 160 CO 0.02 0.35 -0.18 0.44 0.09 0.00 0.00 178.44 179.16 3a4k h ASP 161 N 0.23 0.67 0.05 -0.43 3.32 -0.66 -3.17 116.42 116.42 3a4k h ASP 161 Ca 0.08 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3a4k h ASP 161 Cb 0.14 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3a4k h ASP 161 CO -0.01 0.85 -0.72 -0.62 -1.72 0.00 0.00 179.24 177.02 3a4k n GLU 162 N -4.14 0.50 -3.32 3.56 -0.58 -0.35 -5.01 120.64 111.29 3a4k n GLU 162 Ca 0.00 -0.40 -0.17 0.00 -0.42 0.00 0.00 57.16 56.17 3a4k n GLU 162 Cb 0.39 -1.49 0.07 0.00 -0.57 0.00 0.00 31.44 29.84 3a4k n GLU 162 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3a4k n ASN 163 N -0.90 -5.81 -4.13 1.62 5.15 -0.03 -4.97 115.26 106.20 3a4k n ASN 163 Ca 0.07 -0.73 -0.33 0.00 -0.60 0.00 0.00 54.58 52.98 3a4k n ASN 163 Cb 0.38 -5.01 -0.15 0.00 -0.53 0.00 0.00 39.78 34.48 3a4k n ASN 163 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3a4k s VAL 164 N -3.40 2.35 -0.01 3.44 1.01 -0.63 -4.28 120.40 118.88 3a4k s VAL 164 Ca 0.39 -1.22 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 3a4k s VAL 164 Cb -0.06 -2.19 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 3a4k s VAL 164 CO 0.75 0.23 1.48 -0.22 0.00 0.00 0.00 175.10 177.34 3a4k s LEU 165 N 1.23 4.32 -0.95 3.92 2.96 -0.03 -4.66 118.68 125.46 3a4k s LEU 165 Ca -0.02 2.17 -0.19 0.00 -0.22 0.00 0.00 54.13 55.88 3a4k s LEU 165 Cb -0.17 -3.56 0.13 0.00 0.50 0.00 0.00 46.19 43.09 3a4k s LEU 165 CO -0.08 -0.79 1.17 -0.76 -1.32 0.00 0.00 176.35 174.58 3a4k s LEU 166 N 2.78 4.91 0.00 -0.68 1.43 -1.26 -0.08 118.68 125.78 3a4k s LEU 166 Ca 0.67 -2.04 0.09 0.00 -1.03 0.00 0.00 54.13 51.82 3a4k s LEU 166 Cb -0.33 -2.41 0.10 0.00 0.03 0.00 0.00 46.19 43.57 3a4k s LEU 166 CO 0.27 -1.09 0.78 0.33 0.23 0.00 0.00 176.35 176.88 3a4k n PHE 167 N 6.72 -2.34 -3.60 0.29 7.35 0.99 -4.99 117.46 121.87 3a4k n PHE 167 Ca 0.25 -2.04 -0.13 0.00 -0.76 0.00 0.00 57.45 54.78 3a4k n PHE 167 Cb 0.49 -0.54 -0.05 0.00 0.35 0.00 0.00 39.48 39.73 3a4k n PHE 167 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3a4k s SER 168 N -4.50 -0.38 0.29 -2.13 1.04 -1.26 -2.63 113.70 104.14 3a4k s SER 168 Ca 0.59 0.08 -0.01 0.00 0.48 0.00 0.00 55.95 57.09 3a4k s SER 168 Cb -0.05 0.48 0.44 0.00 0.10 0.00 0.00 66.02 66.99 3a4k s SER 168 CO 0.38 -0.72 1.89 -0.50 0.98 0.00 0.00 173.24 175.26 3a4k h TRP 169 N 2.78 0.90 0.31 5.02 4.06 -1.78 -1.94 115.95 125.31 3a4k h TRP 169 Ca -0.31 -0.04 -0.02 0.00 2.06 0.00 0.00 58.89 60.58 3a4k h TRP 169 Cb 1.22 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 29.10 3a4k h TRP 169 CO 0.37 0.67 -0.15 0.93 -3.56 0.00 0.00 178.44 176.70 3a4k h GLU 170 N 0.90 -0.41 -0.91 0.49 3.07 -1.88 0.76 114.58 116.61 3a4k h GLU 170 Ca 0.22 0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.10 3a4k h GLU 170 Cb 0.12 0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.08 3a4k h GLU 170 CO -0.03 -0.27 0.52 0.45 -1.40 0.00 0.00 179.01 178.29 3a4k h HIS 171 N -0.42 1.22 -0.54 4.33 3.86 -1.94 -1.33 115.15 120.33 3a4k h HIS 171 Ca -0.04 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.17 3a4k h HIS 171 Cb 0.33 -0.40 -0.03 0.00 1.06 0.00 0.00 27.41 28.37 3a4k h HIS 171 CO -0.06 0.82 0.33 1.25 0.86 0.00 0.00 177.93 181.14 3a4k h LEU 172 N 1.26 0.54 -0.78 2.43 5.85 -1.19 -1.50 115.31 121.92 3a4k h LEU 172 Ca 0.32 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.97 3a4k h LEU 172 Cb -0.02 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3a4k h LEU 172 CO -0.06 0.38 0.08 0.00 -0.34 0.00 0.00 178.44 178.51 3a4k h ALA 173 N 1.23 0.99 -0.59 1.25 0.00 -0.38 -2.34 119.26 119.42 3a4k h ALA 173 Ca 0.21 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3a4k h ALA 173 Cb -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3a4k h ALA 173 CO -0.08 0.63 0.24 0.82 0.00 0.00 0.00 179.25 180.86 3a4k h ILE 174 N 0.94 1.22 0.11 0.00 2.04 -1.02 0.27 117.51 121.07 3a4k h ILE 174 Ca 0.19 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 3a4k h ILE 174 Cb 0.43 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3a4k h ILE 174 CO 0.01 0.27 -0.06 -0.07 0.00 0.00 0.00 178.15 178.30 3a4k h LEU 175 N 0.81 -0.14 0.35 1.44 3.38 -1.04 -2.41 115.31 117.70 3a4k h LEU 175 Ca 0.20 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3a4k h LEU 175 Cb 0.19 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3a4k h LEU 175 CO -0.02 -0.10 -0.24 -0.07 0.09 0.00 0.00 178.44 178.11 3a4k h LEU 176 N -0.16 -0.60 -1.04 1.67 3.38 -1.26 -1.41 115.31 115.90 3a4k h LEU 176 Ca -0.01 0.04 0.34 0.00 0.09 0.00 0.00 57.88 58.34 3a4k h LEU 176 Cb 0.13 0.18 -0.15 0.00 0.09 0.00 0.00 40.66 40.91 3a4k h LEU 176 CO 0.02 -0.37 0.59 -0.61 0.09 0.00 0.00 178.44 178.16 3a4k h GLN 177 N -0.57 0.27 -0.14 1.13 5.75 -0.97 0.60 115.11 121.17 3a4k h GLN 177 Ca -0.03 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3a4k h GLN 177 Cb 0.48 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.97 3a4k h GLN 177 CO 0.02 0.18 0.00 1.28 -2.65 0.00 0.00 178.83 177.66 3a4k n LEU 178 N -5.04 1.64 -1.79 -2.39 4.77 -0.91 -4.92 117.00 108.36 3a4k n LEU 178 Ca 0.33 -0.66 -0.16 0.00 -0.03 0.00 0.00 56.01 55.49 3a4k n LEU 178 Cb 1.05 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 42.04 3a4k n LEU 178 CO 0.10 0.33 -0.20 0.47 -1.33 0.00 0.00 177.39 176.76 3a4k n ASP 179 N 0.30 -4.80 -4.68 -1.43 8.00 0.20 -4.97 116.55 109.18 3a4k n ASP 179 Ca 0.17 0.02 -0.42 0.00 0.71 0.00 0.00 54.79 55.26 3a4k n ASP 179 Cb 0.33 -3.90 -0.03 0.00 -0.02 0.00 0.00 41.12 37.50 3a4k n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a4k s LEU 180 N -4.54 4.21 0.11 0.64 1.43 -0.56 -5.04 118.68 114.92 3a4k s LEU 180 Ca 0.00 1.32 -0.00 0.00 -1.03 0.00 0.00 54.13 54.42 3a4k s LEU 180 Cb 0.00 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 3a4k s LEU 180 CO 0.00 -0.41 0.01 -1.83 0.23 0.00 0.00 176.35 174.35 3a4k s GLU 181 N 2.04 0.83 -0.09 1.70 -1.05 -1.26 -4.65 118.70 116.22 3a4k s GLU 181 Ca 0.42 -1.37 -0.26 0.00 -0.15 0.00 0.00 54.97 53.61 3a4k s GLU 181 Cb -0.17 0.13 -0.02 0.00 -0.44 0.00 0.00 34.13 33.62 3a4k s GLU 181 CO 0.15 -0.17 0.84 -2.00 0.95 0.00 0.00 175.26 175.03 3a4k s GLU 182 N -3.97 4.42 0.25 -4.83 2.12 0.68 -4.92 118.70 112.45 3a4k s GLU 182 Ca 0.17 1.11 0.03 0.00 0.36 0.00 0.00 54.97 56.64 3a4k s GLU 182 Cb 0.07 -3.50 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 3a4k s GLU 182 CO -0.03 -0.14 0.03 0.95 -0.54 0.00 0.00 175.26 175.53 3a4k s THR 183 N 1.44 0.97 0.59 -1.70 -4.23 -0.70 -4.73 115.64 107.28 3a4k s THR 183 Ca 0.42 -2.02 0.29 0.00 -1.18 0.00 0.00 61.69 59.20 3a4k s THR 183 Cb -0.18 -2.48 0.40 0.00 1.34 0.00 0.00 72.50 71.58 3a4k s THR 183 CO 0.18 -0.21 1.78 -0.55 -0.54 0.00 0.00 174.62 175.28 3a4k h ASN 184 N 2.39 0.00 -0.28 3.99 -0.00 -1.96 0.80 115.58 120.52 3a4k h ASN 184 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.91 3a4k h ASN 184 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.55 3a4k h ASN 184 CO 0.65 0.00 0.00 2.30 -0.00 0.00 0.00 177.43 180.38 3a4k n ILE 185 N -3.64 0.40 -3.35 6.14 -5.35 -1.26 -4.90 119.36 107.39 3a4k n ILE 185 Ca 0.13 -0.70 -0.10 0.00 -0.27 0.00 0.00 62.75 61.81 3a4k n ILE 185 Cb 0.88 1.06 -0.08 0.00 -1.74 0.00 0.00 39.64 39.76 3a4k n ILE 185 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 3a4k s PHE 186 N -1.45 -0.81 0.06 4.28 2.19 0.28 -5.15 117.98 117.38 3a4k s PHE 186 Ca 0.32 0.70 -0.21 0.00 0.33 0.00 0.00 56.93 58.07 3a4k s PHE 186 Cb 0.20 -0.04 -0.06 0.00 -1.31 0.00 0.00 43.02 41.80 3a4k s PHE 186 CO 0.28 -0.76 0.61 0.45 1.83 0.00 0.00 175.22 177.63 3a4k s SER 187 N 2.53 7.08 0.00 6.13 0.15 -1.26 -1.73 113.70 126.60 3a4k s SER 187 Ca 0.12 1.28 0.25 0.00 0.70 0.00 0.00 55.95 58.30 3a4k s SER 187 Cb -0.15 -2.38 0.42 0.00 -1.71 0.00 0.00 66.02 62.20 3a4k s SER 187 CO -0.18 0.19 1.35 0.49 1.20 0.00 0.00 173.24 176.30 3a4k n PHE 188 N 2.11 0.00 -0.33 3.44 3.01 -1.26 -4.62 117.46 119.80 3a4k n PHE 188 Ca -0.08 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.56 3a4k n PHE 188 Cb 0.51 -0.10 0.36 0.00 -0.01 0.00 0.00 39.48 40.23 3a4k n PHE 188 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3a4k h GLU 189 N 1.16 0.03 0.00 -1.08 4.81 -2.02 0.13 114.58 117.62 3a4k h GLU 189 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3a4k h GLU 189 Cb 0.56 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3a4k h GLU 189 CO 0.00 0.02 0.00 1.04 -0.73 0.00 0.00 179.01 179.34 3a4k n GLN 190 N -5.40 0.15 0.35 1.92 1.13 -1.26 -2.44 117.38 111.83 3a4k n GLN 190 Ca 0.26 0.24 -0.17 0.00 -1.94 0.00 0.00 57.00 55.39 3a4k n GLN 190 Cb 0.87 -1.72 -0.09 0.00 0.11 0.00 0.00 30.24 29.42 3a4k n GLN 190 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3a4k h LEU 191 N 0.00 -0.73 -1.72 1.08 5.85 -1.07 -2.52 115.31 116.20 3a4k h LEU 191 Ca 0.00 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3a4k h LEU 191 Cb 0.51 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3a4k h LEU 191 CO 0.00 -0.49 -0.18 -0.50 -0.34 0.00 0.00 178.44 176.93 3a4k h TRP 192 N -0.91 0.00 -0.11 1.25 -0.00 -1.57 -2.38 115.95 112.23 3a4k h TRP 192 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.80 3a4k h TRP 192 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.84 3a4k h TRP 192 CO -0.02 0.18 0.00 -1.71 -0.00 0.00 0.00 178.44 176.89 3a4k n ASN 193 N -3.95 1.43 -0.26 -3.49 5.15 -1.02 -4.38 115.26 108.74 3a4k n ASN 193 Ca -0.02 -1.60 0.05 0.00 -0.60 0.00 0.00 54.58 52.41 3a4k n ASN 193 Cb 0.26 -0.07 0.16 0.00 -0.53 0.00 0.00 39.78 39.61 3a4k n ASN 193 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3a4k h PHE 194 N 2.00 -0.02 -0.58 1.20 3.57 -0.96 -2.37 116.94 119.78 3a4k h PHE 194 Ca 0.00 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 3a4k h PHE 194 Cb 0.43 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 3a4k h PHE 194 CO 0.07 -0.23 0.17 -1.35 -2.23 0.00 0.00 178.31 174.73 3a4k h PRO 195 N 0.11 0.87 -0.61 6.41 0.11 -1.85 0.60 132.00 137.65 3a4k h PRO 195 Ca 0.42 -0.17 0.04 0.00 0.11 0.00 0.00 66.00 66.40 3a4k h PRO 195 Cb 0.74 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 31.67 3a4k h PRO 195 CO -0.66 0.76 0.34 -0.22 -0.21 0.00 0.00 178.00 178.02 3a4k h LYS 196 N 0.85 0.63 -0.31 1.05 1.63 -1.69 0.15 116.57 118.89 3a4k h LYS 196 Ca 0.19 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.87 3a4k h LYS 196 Cb 0.27 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 3a4k h LYS 196 CO -0.01 0.42 -0.14 0.87 -3.45 0.00 0.00 179.45 177.14 3a4k h LYS 197 N 0.65 0.64 -0.61 1.90 1.79 -1.22 -3.09 116.57 116.64 3a4k h LYS 197 Ca 0.26 -0.28 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 3a4k h LYS 197 Cb 0.12 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 3a4k h LYS 197 CO -0.15 0.86 0.30 0.37 -1.08 0.00 0.00 179.45 179.75 3a4k h GLN 198 N 0.40 0.86 0.00 3.15 5.75 0.65 -2.72 115.11 123.19 3a4k h GLN 198 Ca 0.07 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 3a4k h GLN 198 Cb 0.67 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 29.05 3a4k h GLN 198 CO 0.04 0.66 -0.05 0.66 -2.65 0.00 0.00 178.83 177.50 3a4k h SER 199 N 0.86 0.00 1.18 -0.69 4.64 -0.62 -1.46 113.55 117.46 3a4k h SER 199 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3a4k h SER 199 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3a4k h SER 199 CO -0.03 0.05 0.00 0.11 -0.87 0.00 0.00 176.83 176.09 3a4k h LYS 200 N 0.00 0.00 -0.18 4.77 1.79 -1.56 -2.56 116.57 118.83 3a4k h LYS 200 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3a4k h LYS 200 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3a4k h LYS 200 CO 0.01 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.01 3a4k n LYS 201 N -2.87 2.21 -4.32 3.15 5.02 -0.56 -4.94 118.16 115.85 3a4k n LYS 201 Ca 0.02 -1.99 -0.34 0.00 -2.02 0.00 0.00 58.31 53.98 3a4k n LYS 201 Cb 0.34 -1.45 -0.15 0.00 -0.02 0.00 0.00 35.03 33.76 3a4k n LYS 201 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3a4k s THR 202 N -1.64 2.93 0.85 -0.18 2.01 -0.96 -5.11 115.64 113.53 3a4k s THR 202 Ca 0.30 -0.67 -0.12 0.00 0.31 0.00 0.00 61.69 61.51 3a4k s THR 202 Cb 0.20 -2.27 0.10 0.00 0.01 0.00 0.00 72.50 70.54 3a4k s THR 202 CO 0.28 0.49 1.16 -1.54 -0.69 0.00 0.00 174.62 174.32 3a4k n SER 203 N 4.25 0.69 -0.11 3.53 3.41 -1.26 -4.89 113.62 119.23 3a4k n SER 203 Ca -0.19 0.52 -0.05 0.00 -0.26 0.00 0.00 58.87 58.90 3a4k n SER 203 Cb 0.51 -1.49 0.01 0.00 -0.26 0.00 0.00 64.21 62.99 3a4k n SER 203 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3a4k h VAL 204 N -1.25 0.56 0.00 -3.33 2.07 -1.99 -2.80 116.25 109.51 3a4k h VAL 204 Ca -0.45 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3a4k h VAL 204 Cb 1.29 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3a4k h VAL 204 CO 0.44 0.00 -0.06 0.77 0.02 0.00 0.00 177.57 178.74 3a4k h SER 205 N -0.03 0.00 0.15 0.57 4.64 -2.05 -2.43 113.55 114.40 3a4k h SER 205 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3a4k h SER 205 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3a4k h SER 205 CO -0.42 0.06 -0.11 0.47 -0.87 0.00 0.00 176.83 175.96 3a4k n ASP 206 N -3.30 0.99 0.06 4.97 8.00 -1.08 -4.62 116.55 121.57 3a4k n ASP 206 Ca -0.01 -1.05 0.09 0.00 0.71 0.00 0.00 54.79 54.53 3a4k n ASP 206 Cb 0.25 0.03 0.54 0.00 -0.02 0.00 0.00 41.12 41.91 3a4k n ASP 206 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a4k h ALA 207 N 3.94 1.97 -0.00 2.24 0.00 -1.20 0.63 119.26 126.84 3a4k h ALA 207 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a4k h ALA 207 Cb 0.43 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3a4k h ALA 207 CO 0.00 -0.03 -0.07 0.39 0.00 0.00 0.00 179.25 179.54 3a4k n GLU 208 N -4.48 0.63 -2.06 0.00 1.02 -1.26 -2.44 120.64 112.05 3a4k n GLU 208 Ca 0.04 -0.16 -0.40 0.00 -0.02 0.00 0.00 57.16 56.62 3a4k n GLU 208 Cb 0.21 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.13 3a4k n GLU 208 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3a4k s ASN 209 N -2.48 6.52 0.15 1.62 0.02 0.21 -0.68 114.94 120.31 3a4k s ASN 209 Ca 0.30 2.70 -0.34 0.00 -1.02 0.00 0.00 52.86 54.50 3a4k s ASN 209 Cb 0.20 -2.65 -0.14 0.00 0.02 0.00 0.00 41.25 38.69 3a4k s ASN 209 CO 0.47 -0.71 1.58 -3.20 0.02 0.00 0.00 177.10 175.26 3a4k n ASN 210 N 0.46 3.09 -0.81 -1.22 2.85 -0.22 -4.84 115.26 114.56 3a4k n ASN 210 Ca 0.02 1.08 0.03 0.00 -0.11 0.00 0.00 54.58 55.60 3a4k n ASN 210 Cb 0.42 -1.42 0.21 0.00 1.24 0.00 0.00 39.78 40.23 3a4k n ASN 210 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 3a4k n PHE 211 N 3.50 0.71 0.09 1.20 1.16 -1.26 -4.75 117.46 118.10 3a4k n PHE 211 Ca 0.17 -1.27 -0.06 0.00 -1.87 0.00 0.00 57.45 54.42 3a4k n PHE 211 Cb 0.29 -0.35 -0.00 0.00 -1.61 0.00 0.00 39.48 37.81 3a4k n PHE 211 CO 0.00 0.00 0.00 0.52 -1.87 0.00 0.00 176.76 175.41 3a4k h MET 212 N 1.05 0.08 0.05 3.97 2.86 -1.96 0.28 114.93 121.25 3a4k h MET 212 Ca 0.09 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3a4k h MET 212 Cb 1.40 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 33.03 3a4k h MET 212 CO 0.22 0.89 -0.42 -0.09 1.06 0.00 0.00 176.91 178.57 3a4k h ARG 213 N 0.04 -0.59 -0.95 1.72 2.43 -2.00 0.78 114.38 115.81 3a4k h ARG 213 Ca -0.02 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 3a4k h ARG 213 Cb 1.50 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 31.12 3a4k h ARG 213 CO 0.12 -0.39 0.62 -0.44 -1.51 0.00 0.00 179.97 178.36 3a4k h ASP 214 N -0.61 0.97 -0.44 -3.80 3.32 -1.86 -2.10 116.42 111.90 3a4k h ASP 214 Ca 0.03 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3a4k h ASP 214 Cb 0.66 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 3a4k h ASP 214 CO -0.28 0.62 0.18 0.15 -1.72 0.00 0.00 179.24 178.19 3a4k h PHE 215 N 1.10 0.68 -0.79 4.55 3.57 0.07 -1.54 116.94 124.57 3a4k h PHE 215 Ca 0.41 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.81 3a4k h PHE 215 Cb 0.17 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 3a4k h PHE 215 CO -0.00 0.58 0.31 -0.91 -2.23 0.00 0.00 178.31 176.06 3a4k h ASN 216 N 0.57 1.10 0.15 0.41 2.35 -0.45 0.11 115.58 119.82 3a4k h ASN 216 Ca 0.15 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3a4k h ASN 216 Cb 0.19 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3a4k h ASN 216 CO -0.01 0.97 -0.12 0.11 -1.65 0.00 0.00 177.43 176.73 3a4k h LYS 217 N 1.16 -0.27 -1.01 0.81 1.57 -1.23 -0.89 116.57 116.71 3a4k h LYS 217 Ca 0.26 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.07 3a4k h LYS 217 Cb 0.22 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 3a4k h LYS 217 CO -0.02 -0.18 0.67 -0.92 -0.57 0.00 0.00 179.45 178.42 3a4k h TYR 218 N -0.28 1.27 -0.05 -1.35 3.20 -1.11 0.14 116.97 118.78 3a4k h TYR 218 Ca -0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3a4k h TYR 218 Cb 0.26 -0.43 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 3a4k h TYR 218 CO -0.11 0.80 0.02 0.35 -1.64 0.00 0.00 178.16 177.58 3a4k h PHE 219 N 1.37 0.07 -0.34 -3.82 3.57 -0.54 0.88 116.94 118.13 3a4k h PHE 219 Ca 0.37 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.88 3a4k h PHE 219 Cb -0.16 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 3a4k h PHE 219 CO 0.00 0.20 0.20 0.52 -2.23 0.00 0.00 178.31 177.01 3a4k h MET 220 N -0.08 0.40 -0.23 1.11 2.86 -0.93 -1.79 114.93 116.26 3a4k h MET 220 Ca 0.02 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3a4k h MET 220 Cb 0.16 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3a4k h MET 220 CO -0.00 0.26 0.12 0.22 1.06 0.00 0.00 176.91 178.57 3a4k h ASP 221 N 0.41 0.18 -0.21 1.22 3.58 -0.60 0.23 116.42 121.23 3a4k h ASP 221 Ca 0.13 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 3a4k h ASP 221 Cb -0.01 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 3a4k h ASP 221 CO -0.06 0.14 0.09 0.25 -2.88 0.00 0.00 179.24 176.78 3a4k h LEU 222 N 0.25 0.28 -1.48 2.28 5.85 -0.71 -3.23 115.31 118.56 3a4k h LEU 222 Ca 0.09 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3a4k h LEU 222 Cb 0.02 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3a4k h LEU 222 CO -0.06 0.36 -0.04 0.49 -0.34 0.00 0.00 178.44 178.85 3a4k n PHE 223 N -4.83 0.00 -3.46 1.25 3.72 -0.68 -4.94 117.46 108.51 3a4k n PHE 223 Ca -0.04 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.19 3a4k n PHE 223 Cb 0.12 -0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.73 3a4k n PHE 223 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3a4k n LYS 224 N 0.78 -5.59 -4.26 -1.08 4.76 0.73 -4.99 118.16 108.52 3a4k n LYS 224 Ca 0.15 0.80 -0.34 0.00 -2.87 0.00 0.00 58.31 56.05 3a4k n LYS 224 Cb 0.50 -5.69 -0.12 0.00 -1.84 0.00 0.00 35.03 27.87 3a4k n LYS 224 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3a4k s ILE 225 N -3.43 3.93 0.67 -0.18 1.01 -0.67 -5.05 121.20 117.47 3a4k s ILE 225 Ca 0.07 -0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.28 3a4k s ILE 225 Cb -0.01 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.72 3a4k s ILE 225 CO 0.75 0.47 1.05 1.51 0.00 0.00 0.00 174.94 178.71 3a4k s ASP 226 N 0.63 5.56 0.28 3.58 1.47 -1.26 -4.63 116.67 122.30 3a4k s ASP 226 Ca -0.02 1.07 0.01 0.00 1.18 0.00 0.00 52.55 54.80 3a4k s ASP 226 Cb -0.14 -1.94 0.53 0.00 -0.34 0.00 0.00 42.92 41.03 3a4k s ASP 226 CO 0.02 -1.23 1.85 0.50 0.68 0.00 0.00 175.17 177.00 3a4k h LYS 227 N -0.52 1.00 -0.12 2.11 3.64 -1.98 -0.43 116.57 120.26 3a4k h LYS 227 Ca -0.45 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 3a4k h LYS 227 Cb 1.25 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 3a4k h LYS 227 CO 0.63 0.66 -0.01 -0.44 -2.27 0.00 0.00 179.45 178.02 3a4k h ASP 228 N 1.03 0.22 -0.37 4.20 3.32 -1.99 0.09 116.42 122.92 3a4k h ASP 228 Ca 0.47 -0.33 0.03 0.00 0.02 0.00 0.00 57.03 57.22 3a4k h ASP 228 Cb 0.41 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 3a4k h ASP 228 CO -0.23 0.50 0.19 0.74 -1.72 0.00 0.00 179.24 178.72 3a4k h THR 229 N -0.06 0.99 -0.27 0.35 2.02 -1.87 -2.04 112.91 112.03 3a4k h THR 229 Ca 0.03 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 3a4k h THR 229 Cb 0.39 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3a4k h THR 229 CO 0.01 0.07 0.14 0.25 0.37 0.00 0.00 175.52 176.36 3a4k h LEU 230 N 0.39 0.34 -1.10 2.58 5.85 -0.97 -1.69 115.31 120.70 3a4k h LEU 230 Ca 0.16 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.85 3a4k h LEU 230 Cb 0.06 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 3a4k h LEU 230 CO -0.10 0.34 0.61 -1.13 -0.34 0.00 0.00 178.44 177.81 3a4k h ASN 231 N 0.31 0.95 0.50 1.25 -1.24 -0.91 -0.63 115.58 115.82 3a4k h ASN 231 Ca 0.09 0.01 -0.26 0.00 0.71 0.00 0.00 56.30 56.85 3a4k h ASN 231 Cb 0.08 -0.19 0.01 0.00 0.73 0.00 0.00 38.32 38.94 3a4k h ASN 231 CO -0.01 0.60 -1.15 0.06 -1.29 0.00 0.00 177.43 175.64 3a4k h GLN 232 N 1.07 0.34 -0.72 6.67 3.07 -1.17 -2.08 115.11 122.28 3a4k h GLN 232 Ca 0.41 -0.49 0.01 0.00 0.09 0.00 0.00 58.65 58.67 3a4k h GLN 232 Cb 0.20 0.17 -0.04 0.00 0.08 0.00 0.00 27.48 27.89 3a4k h GLN 232 CO -0.16 1.19 0.48 -0.07 0.09 0.00 0.00 178.83 180.36 3a4k h LEU 233 N 0.13 0.82 -0.58 0.06 3.38 -1.11 -1.09 115.31 116.92 3a4k h LEU 233 Ca -0.12 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 3a4k h LEU 233 Cb 1.84 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.36 3a4k h LEU 233 CO 0.19 0.59 0.06 -0.07 0.09 0.00 0.00 178.44 179.31 3a4k h LEU 234 N 0.97 0.96 -0.41 1.67 3.38 -1.13 -2.02 115.31 118.73 3a4k h LEU 234 Ca 0.27 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3a4k h LEU 234 Cb -0.10 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 3a4k h LEU 234 CO -0.06 1.00 0.26 -0.61 0.09 0.00 0.00 178.44 179.11 3a4k h GLN 235 N 0.88 0.51 -0.63 1.13 5.75 -1.24 -0.72 115.11 120.79 3a4k h GLN 235 Ca 0.17 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.61 3a4k h GLN 235 Cb 0.47 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 3a4k h GLN 235 CO 0.02 0.34 0.26 0.87 -2.65 0.00 0.00 178.83 177.66 3a4k h LYS 236 N 0.52 0.91 -0.07 1.69 1.57 -1.07 -1.32 116.57 118.80 3a4k h LYS 236 Ca 0.15 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3a4k h LYS 236 Cb -0.03 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 3a4k h LYS 236 CO -0.05 0.74 0.05 1.49 -0.57 0.00 0.00 179.45 181.11 3a4k h GLU 237 N 0.90 0.10 -0.27 3.15 4.57 -0.93 -0.38 114.58 121.71 3a4k h GLU 237 Ca 0.21 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.45 3a4k h GLU 237 Cb 0.17 -0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.65 3a4k h GLU 237 CO -0.02 0.07 -0.38 0.82 -1.18 0.00 0.00 179.01 178.31 3a4k h ILE 238 N 0.10 0.18 -0.89 2.32 2.04 -0.92 -1.53 117.51 118.82 3a4k h ILE 238 Ca 0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.96 3a4k h ILE 238 Cb -0.01 0.18 -0.07 0.00 -0.74 0.00 0.00 36.82 36.18 3a4k h ILE 238 CO -0.01 0.00 0.55 0.78 0.00 0.00 0.00 178.15 179.47 3a4k h ASN 239 N -0.37 0.85 -0.98 1.72 2.35 -1.12 0.94 115.58 118.98 3a4k h ASN 239 Ca 0.12 0.02 0.07 0.00 -0.55 0.00 0.00 56.30 55.96 3a4k h ASN 239 Cb 0.58 -0.15 -0.07 0.00 0.05 0.00 0.00 38.32 38.73 3a4k h ASN 239 CO -0.47 0.53 0.63 -0.26 -1.65 0.00 0.00 177.43 176.20 3a4k h PHE 240 N 0.98 1.16 -0.11 1.19 0.04 -0.72 -0.59 116.94 118.90 3a4k h PHE 240 Ca 0.40 0.03 -0.22 0.00 2.80 0.00 0.00 57.97 60.98 3a4k h PHE 240 Cb 0.22 -0.38 0.01 0.00 2.20 0.00 0.00 35.95 38.00 3a4k h PHE 240 CO -0.03 0.59 -0.78 0.82 -0.60 0.00 0.00 178.31 178.31 3a4k h ILE 241 N 1.13 1.29 -0.28 -0.55 2.04 -0.24 -2.03 117.51 118.88 3a4k h ILE 241 Ca 0.43 -2.01 0.02 0.00 1.00 0.00 0.00 64.86 64.30 3a4k h ILE 241 Cb 0.19 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 3a4k h ILE 241 CO -0.18 0.63 0.15 -0.08 0.00 0.00 0.00 178.15 178.66 3a4k h GLU 242 N 0.43 0.30 -0.40 2.37 4.81 -0.54 -0.92 114.58 120.62 3a4k h GLU 242 Ca -0.07 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3a4k h GLU 242 Cb 1.42 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.69 3a4k h GLU 242 CO 0.16 0.20 0.12 0.93 -0.73 0.00 0.00 179.01 179.69 3a4k h GLU 243 N 0.31 0.26 -0.37 1.92 5.08 -1.01 -1.40 114.58 119.36 3a4k h GLU 243 Ca 0.11 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3a4k h GLU 243 Cb 0.02 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3a4k h GLU 243 CO -0.07 0.18 0.25 -0.09 -1.00 0.00 0.00 179.01 178.28 3a4k h ARG 244 N 0.27 0.49 0.00 2.33 9.65 -1.13 -1.70 114.38 124.29 3a4k h ARG 244 Ca 0.19 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 3a4k h ARG 244 Cb 0.19 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 3a4k h ARG 244 CO -0.21 0.32 0.00 0.66 2.80 0.00 0.00 179.97 183.55 3a4k h SER 245 N 0.51 0.00 0.03 -3.80 4.64 -0.01 -3.02 113.55 111.90 3a4k h SER 245 Ca 0.14 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.38 3a4k h SER 245 Cb -0.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3a4k h SER 245 CO -0.03 0.00 -0.33 -0.07 -0.87 0.00 0.00 176.83 175.53 3a4k h LEU 246 N 0.00 0.24 -0.45 5.97 3.38 -1.33 -1.45 115.31 121.68 3a4k h LEU 246 Ca 0.00 -0.86 0.09 0.00 0.09 0.00 0.00 57.88 57.20 3a4k h LEU 246 Cb 0.21 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 3a4k h LEU 246 CO 0.00 1.07 -0.13 0.40 0.09 0.00 0.00 178.44 179.87 3a4k h ILE 247 N -0.56 0.51 -0.30 1.22 5.03 -1.67 -2.40 117.51 119.33 3a4k h ILE 247 Ca -0.05 0.00 -0.11 0.00 -0.12 0.00 0.00 64.86 64.58 3a4k h ILE 247 Cb 1.15 0.51 -0.01 0.00 -3.03 0.00 0.00 36.82 35.45 3a4k h ILE 247 CO 0.06 0.00 -0.24 -0.33 -0.68 0.00 0.00 178.15 176.97 3a4k h GLU 248 N -0.03 0.69 -0.20 2.37 4.39 -1.40 -2.53 114.58 117.88 3a4k h GLU 248 Ca 0.22 -0.34 -0.11 0.00 0.34 0.00 0.00 59.36 59.46 3a4k h GLU 248 Cb 0.36 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 3a4k h GLU 248 CO -0.47 0.95 -0.35 -0.22 -1.16 0.00 0.00 179.01 177.75 3a4k h LYS 249 N 0.45 0.44 -0.80 2.33 3.64 -1.31 -2.80 116.57 118.50 3a4k h LYS 249 Ca 0.06 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 3a4k h LYS 249 Cb 0.79 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.57 3a4k h LYS 249 CO 0.06 0.73 0.40 0.93 -2.27 0.00 0.00 179.45 179.31 3a4k h GLU 250 N 0.37 1.14 -0.66 1.90 4.39 -1.09 -2.09 114.58 118.54 3a4k h GLU 250 Ca 0.04 -0.16 0.14 0.00 0.34 0.00 0.00 59.36 59.72 3a4k h GLU 250 Cb 0.80 -0.21 -0.11 0.00 -0.10 0.00 0.00 28.75 29.12 3a4k h GLU 250 CO 0.06 0.87 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.83 3a4k h TYR 251 N 1.12 -0.11 0.00 4.33 3.20 -1.18 -0.52 116.97 123.82 3a4k h TYR 251 Ca 0.28 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 62.13 3a4k h TYR 251 Cb 0.09 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3a4k h TYR 251 CO 0.01 -0.21 -0.33 -1.49 -1.64 0.00 0.00 178.16 174.50 3a4k h TRP 252 N 0.09 0.00 -0.16 -3.82 4.06 -1.51 -2.59 115.95 112.02 3a4k h TRP 252 Ca 0.34 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 61.21 3a4k h TRP 252 Cb 0.56 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.72 3a4k h TRP 252 CO -0.41 0.33 -0.22 0.87 -3.56 0.00 0.00 178.44 175.45 3a4k h LYS 253 N 0.00 0.43 -0.39 0.49 1.57 -0.46 -1.72 116.57 116.48 3a4k h LYS 253 Ca -0.00 -0.25 0.05 0.00 -1.87 0.00 0.00 60.65 58.57 3a4k h LYS 253 Cb 1.03 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 3a4k h LYS 253 CO 0.04 0.84 0.13 0.87 -0.57 0.00 0.00 179.45 180.76 3a4k h LYS 254 N 0.05 0.28 -0.54 3.15 1.57 -1.31 -2.92 116.57 116.85 3a4k h LYS 254 Ca 0.02 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3a4k h LYS 254 Cb 0.79 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3a4k h LYS 254 CO 0.05 0.18 0.22 1.96 -0.57 0.00 0.00 179.45 181.29 3a4k h GLN 255 N 0.29 0.81 -0.25 3.15 1.08 -1.33 -1.95 115.11 116.90 3a4k h GLN 255 Ca 0.18 -0.15 -0.08 0.00 -1.45 0.00 0.00 58.65 57.15 3a4k h GLN 255 Cb 0.17 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 3a4k h GLN 255 CO -0.19 0.70 -0.20 0.97 -0.95 0.00 0.00 178.83 179.16 3a4k h ILE 256 N 0.74 1.25 -0.25 2.54 2.10 -1.31 -1.42 117.51 121.15 3a4k h ILE 256 Ca 0.18 -1.15 -0.01 0.00 1.08 0.00 0.00 64.86 64.96 3a4k h ILE 256 Cb 0.19 1.28 -0.01 0.00 -1.09 0.00 0.00 36.82 37.20 3a4k h ILE 256 CO -0.02 0.37 0.12 -1.13 -1.08 0.00 0.00 178.15 176.41 3a4k h ASN 257 N 0.41 0.34 0.08 2.19 -0.73 -1.25 -2.16 115.58 114.45 3a4k h ASN 257 Ca 0.07 -0.14 0.02 0.00 1.87 0.00 0.00 56.30 58.12 3a4k h ASN 257 Cb 0.59 -0.09 -0.05 0.00 0.27 0.00 0.00 38.32 39.04 3a4k h ASN 257 CO 0.04 0.38 -0.39 0.40 -0.37 0.00 0.00 177.43 177.49 3a4k h ILE 258 N 0.27 0.20 -0.70 2.57 2.04 -1.15 -2.95 117.51 117.79 3a4k h ILE 258 Ca 0.09 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.99 3a4k h ILE 258 Cb 0.14 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 3a4k h ILE 258 CO -0.01 0.00 0.42 0.40 0.00 0.00 0.00 178.15 178.96 3a4k h ILE 259 N -0.60 1.05 0.00 -0.67 1.08 -1.13 -1.55 117.51 115.68 3a4k h ILE 259 Ca 0.03 -0.28 -0.01 0.00 -0.39 0.00 0.00 64.86 64.22 3a4k h ILE 259 Cb 0.65 0.17 -0.00 0.00 -3.07 0.00 0.00 36.82 34.56 3a4k h ILE 259 CO -0.25 0.15 -0.05 0.11 -0.69 0.00 0.00 178.15 177.41 3a4k h LYS 260 N 0.81 0.00 -0.67 2.37 1.57 -1.31 -1.73 116.57 117.60 3a4k h LYS 260 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3a4k h LYS 260 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3a4k h LYS 260 CO -0.14 0.05 0.00 0.09 -0.57 0.00 0.00 179.45 178.88 3a4k n ASN 261 N -3.23 4.44 -4.77 0.86 3.02 -0.60 -4.97 115.26 110.01 3a4k n ASN 261 Ca -0.01 -2.33 -0.39 0.00 -0.03 0.00 0.00 54.58 51.83 3a4k n ASN 261 Cb 0.26 -0.55 -0.00 0.00 -0.61 0.00 0.00 39.78 38.88 3a4k n ASN 261 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3a4k s PHE 262 N -1.65 2.81 0.91 3.10 0.08 -0.65 -5.03 117.98 117.55 3a4k s PHE 262 Ca 0.49 1.43 -0.12 0.00 0.12 0.00 0.00 56.93 58.86 3a4k s PHE 262 Cb 0.30 -3.62 0.14 0.00 -0.57 0.00 0.00 43.02 39.27 3a4k s PHE 262 CO 0.26 -2.01 1.11 0.95 -0.10 0.00 0.00 175.22 175.44 3a4k s THR 263 N -1.30 2.28 0.18 0.64 -4.23 -1.26 -4.82 115.64 107.13 3a4k s THR 263 Ca 0.58 0.09 -0.19 0.00 -1.18 0.00 0.00 61.69 60.99 3a4k s THR 263 Cb -0.37 -2.75 0.13 0.00 1.34 0.00 0.00 72.50 70.85 3a4k s THR 263 CO 0.46 -0.12 1.61 -0.09 -0.54 0.00 0.00 174.62 175.94 3a4k h ARG 264 N -1.53 -0.14 -0.57 3.99 2.43 -1.99 -0.92 114.38 115.64 3a4k h ARG 264 Ca -0.51 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.57 3a4k h ARG 264 Cb 1.32 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.88 3a4k h ARG 264 CO 0.60 -0.10 -0.06 0.93 -1.51 0.00 0.00 179.97 179.83 3a4k h GLU 265 N -0.15 1.04 -0.63 0.20 3.07 -1.99 -0.96 114.58 115.17 3a4k h GLU 265 Ca 0.22 -0.36 -0.01 0.00 -0.50 0.00 0.00 59.36 58.71 3a4k h GLU 265 Cb 0.51 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.31 3a4k h GLU 265 CO -0.59 1.05 0.35 1.49 -1.40 0.00 0.00 179.01 179.91 3a4k h GLU 266 N 0.94 0.87 -0.33 2.33 4.81 -1.86 -1.70 114.58 119.64 3a4k h GLU 266 Ca 0.16 -0.10 -0.17 0.00 -0.13 0.00 0.00 59.36 59.12 3a4k h GLU 266 Cb 0.62 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 3a4k h GLU 266 CO 0.04 0.66 -0.45 0.00 -0.73 0.00 0.00 179.01 178.52 3a4k h ALA 267 N 1.17 0.50 -0.23 2.92 0.00 -0.74 -2.31 119.26 120.57 3a4k h ALA 267 Ca 0.22 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3a4k h ALA 267 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3a4k h ALA 267 CO -0.04 0.65 0.13 0.82 0.00 0.00 0.00 179.25 180.82 3a4k h ILE 268 N 0.68 1.09 -0.43 0.00 2.04 -1.12 -1.54 117.51 118.24 3a4k h ILE 268 Ca 0.04 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.72 3a4k h ILE 268 Cb 1.06 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 3a4k h ILE 268 CO 0.11 0.09 0.14 -0.08 0.00 0.00 0.00 178.15 178.40 3a4k h GLU 269 N 0.27 0.28 -0.28 2.37 4.57 -1.30 -1.13 114.58 119.37 3a4k h GLU 269 Ca 0.08 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 3a4k h GLU 269 Cb 0.03 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3a4k h GLU 269 CO -0.01 0.19 0.01 0.00 -1.18 0.00 0.00 179.01 178.02 3a4k h ALA 270 N 1.29 1.51 0.09 2.92 0.00 -1.24 -1.81 119.26 122.01 3a4k h ALA 270 Ca 0.20 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3a4k h ALA 270 Cb 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3a4k h ALA 270 CO -0.22 0.36 -0.04 1.25 0.00 0.00 0.00 179.25 180.60 3a4k h LEU 271 N 0.41 -0.10 -0.82 0.00 5.85 -0.52 -0.25 115.31 119.88 3a4k h LEU 271 Ca 0.09 -0.49 0.10 0.00 0.84 0.00 0.00 57.88 58.42 3a4k h LEU 271 Cb 0.25 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 3a4k h LEU 271 CO 0.00 0.52 0.46 -0.07 -0.34 0.00 0.00 178.44 179.01 3a4k h LEU 272 N -0.80 0.64 -0.07 2.25 3.38 -1.26 0.21 115.31 119.66 3a4k h LEU 272 Ca -0.01 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3a4k h LEU 272 Cb 0.59 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3a4k h LEU 272 CO 0.02 0.35 0.04 0.50 0.09 0.00 0.00 178.44 179.45 3a4k h LYS 273 N 0.75 0.10 -0.27 1.13 3.64 -1.26 0.16 116.57 120.82 3a4k h LYS 273 Ca 0.40 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.75 3a4k h LYS 273 Cb 0.40 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3a4k h LYS 273 CO -0.26 0.12 0.09 0.22 -2.27 0.00 0.00 179.45 177.35 3a4k h ASP 274 N 0.05 0.39 -0.35 4.20 3.58 -0.51 -2.91 116.42 120.87 3a4k h ASP 274 Ca 0.03 -0.19 0.04 0.00 0.42 0.00 0.00 57.03 57.32 3a4k h ASP 274 Cb 0.05 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 40.96 3a4k h ASP 274 CO -0.00 0.48 0.13 0.40 -2.88 0.00 0.00 179.24 177.37 3a4k h ILE 275 N 0.28 0.91 -5.75 2.25 2.04 -0.56 -3.47 117.51 113.21 3a4k h ILE 275 Ca 0.09 -0.10 -0.33 0.00 1.00 0.00 0.00 64.86 65.52 3a4k h ILE 275 Cb 0.22 0.60 0.15 0.00 -0.74 0.00 0.00 36.82 37.05 3a4k h ILE 275 CO -0.00 0.05 -0.86 -3.20 0.00 0.00 0.00 178.15 174.14 3a4k n ASN 276 N -5.01 -4.63 0.21 1.72 5.15 0.04 -4.90 115.26 107.83 3a4k n ASN 276 Ca 0.01 -0.78 0.07 0.00 -0.60 0.00 0.00 54.58 53.29 3a4k n ASN 276 Cb 0.12 -4.63 0.43 0.00 -0.53 0.00 0.00 39.78 35.17 3a4k n ASN 276 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3a4k h MET 277 N -1.52 0.00 -0.24 1.20 -0.00 -1.90 -2.81 114.93 109.65 3a4k h MET 277 Ca -0.62 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 58.97 3a4k h MET 277 Cb 1.33 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.92 3a4k h MET 277 CO 0.48 0.30 -0.32 0.66 -0.00 0.00 0.00 176.91 178.04 3a4k h SER 278 N 0.00 0.50 -0.67 -0.10 4.64 -1.93 -1.06 113.55 114.93 3a4k h SER 278 Ca -0.00 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 3a4k h SER 278 Cb 0.74 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 3a4k h SER 278 CO 0.04 0.79 0.36 -1.28 -0.87 0.00 0.00 176.83 175.88 3a4k h SER 279 N 0.42 0.85 -0.40 4.97 0.87 -1.90 -0.43 113.55 117.94 3a4k h SER 279 Ca 0.05 -0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.54 3a4k h SER 279 Cb 0.76 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 3a4k h SER 279 CO 0.06 0.71 0.20 0.11 -0.53 0.00 0.00 176.83 177.38 3a4k h LYS 280 N 0.93 0.40 -0.40 2.24 1.57 -1.11 0.68 116.57 120.88 3a4k h LYS 280 Ca 0.24 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.96 3a4k h LYS 280 Cb 0.05 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3a4k h LYS 280 CO -0.04 0.26 0.11 0.82 -0.57 0.00 0.00 179.45 180.04 3a4k h ILE 281 N 0.41 1.22 -0.68 1.86 5.03 -1.08 -0.81 117.51 123.47 3a4k h ILE 281 Ca 0.17 -0.75 -0.06 0.00 -0.12 0.00 0.00 64.86 64.10 3a4k h ILE 281 Cb 0.07 0.95 -0.03 0.00 -3.03 0.00 0.00 36.82 34.78 3a4k h ILE 281 CO -0.11 0.26 0.20 -0.08 -0.68 0.00 0.00 178.15 177.74 3a4k h GLU 282 N 0.51 1.05 -0.60 2.37 4.57 -0.85 -1.22 114.58 120.41 3a4k h GLU 282 Ca 0.13 -0.22 0.05 0.00 -1.18 0.00 0.00 59.36 58.13 3a4k h GLU 282 Cb 0.29 -0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 28.67 3a4k h GLU 282 CO -0.00 0.90 0.34 1.15 -1.18 0.00 0.00 179.01 180.22 3a4k h THR 283 N 1.01 0.99 -0.11 0.32 2.02 -0.48 -0.04 112.91 116.62 3a4k h THR 283 Ca 0.22 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3a4k h THR 283 Cb 0.30 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 3a4k h THR 283 CO -0.01 0.12 0.05 0.40 0.37 0.00 0.00 175.52 176.45 3a4k h ILE 284 N 0.64 1.12 -0.63 3.11 2.04 -0.67 -0.40 117.51 122.72 3a4k h ILE 284 Ca 0.26 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.73 3a4k h ILE 284 Cb 0.13 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 3a4k h ILE 284 CO -0.16 0.11 0.20 0.44 0.00 0.00 0.00 178.15 178.75 3a4k h ASP 285 N 0.05 0.91 -1.00 1.72 3.32 -1.13 -1.31 116.42 118.99 3a4k h ASP 285 Ca 0.04 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 56.91 3a4k h ASP 285 Cb 0.12 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 3a4k h ASP 285 CO -0.00 0.87 0.66 -1.28 -1.72 0.00 0.00 179.24 177.77 3a4k h SER 286 N 0.90 1.12 -0.30 6.45 0.87 -0.87 -0.14 113.55 121.59 3a4k h SER 286 Ca 0.20 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 3a4k h SER 286 Cb 0.28 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3a4k h SER 286 CO -0.01 0.79 0.13 0.15 -0.53 0.00 0.00 176.83 177.36 3a4k h PHE 287 N 1.31 0.44 -0.45 2.24 3.57 -0.63 -1.68 116.94 121.75 3a4k h PHE 287 Ca 0.38 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.76 3a4k h PHE 287 Cb -0.09 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 3a4k h PHE 287 CO -0.00 0.43 -0.09 0.82 -2.23 0.00 0.00 178.31 177.24 3a4k h ILE 288 N 0.33 1.26 -0.26 1.41 1.08 -1.03 -2.26 117.51 118.04 3a4k h ILE 288 Ca 0.10 -1.14 -0.10 0.00 -0.39 0.00 0.00 64.86 63.32 3a4k h ILE 288 Cb 0.16 1.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.91 3a4k h ILE 288 CO -0.01 0.39 -0.24 0.50 -0.69 0.00 0.00 178.15 178.11 3a4k h LYS 289 N 0.73 0.63 -0.62 2.37 3.64 -0.92 -3.16 116.57 119.22 3a4k h LYS 289 Ca 0.13 -0.32 0.09 0.00 -1.27 0.00 0.00 60.65 59.27 3a4k h LYS 289 Cb 0.57 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.33 3a4k h LYS 289 CO 0.03 0.92 0.27 0.78 -2.27 0.00 0.00 179.45 179.18 3a4k h GLY 290 N 0.35 0.89 2.00 5.01 0.00 -1.10 -2.82 103.07 107.41 3a4k h GLY 290 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3a4k h GLY 290 CO 0.06 0.02 0.00 0.29 0.00 0.00 0.00 176.54 176.91 3a4k n ILE 291 N -4.94 0.69 0.78 2.60 -5.35 -0.87 -2.37 119.36 109.90 3a4k n ILE 291 Ca 0.09 -0.01 0.13 0.00 -0.27 0.00 0.00 62.75 62.69 3a4k n ILE 291 Cb 0.25 -0.87 0.44 0.00 -1.74 0.00 0.00 39.64 37.72 3a4k n ILE 291 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3a4k n LYS 292 N -2.18 0.16 -1.82 6.28 5.02 -1.06 -4.80 118.16 119.75 3a4k n LYS 292 Ca 0.04 0.11 -0.42 0.00 -2.02 0.00 0.00 58.31 56.02 3a4k n LYS 292 Cb 0.32 -1.66 -0.02 0.00 -0.02 0.00 0.00 35.03 33.65 3a4k n LYS 292 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3a4k s SER 293 N -3.85 6.44 0.33 4.39 0.15 -1.00 -4.95 113.70 115.21 3a4k s SER 293 Ca 0.11 2.85 0.05 0.00 0.70 0.00 0.00 55.95 59.67 3a4k s SER 293 Cb 0.15 -2.62 0.59 0.00 -1.71 0.00 0.00 66.02 62.43 3a4k s SER 293 CO 0.60 -0.89 1.83 -1.13 1.20 0.00 0.00 173.24 174.85 3a4k h ASN 294 N 5.56 0.40 0.61 5.45 -1.24 -1.89 -2.59 115.58 121.89 3a4k h ASN 294 Ca -0.45 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 56.46 3a4k h ASN 294 Cb 1.21 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.16 3a4k h ASN 294 CO 0.84 0.56 0.00 -0.90 -1.29 0.00 0.00 177.43 176.65 3a4k n ASP 295 N -4.22 0.00 0.00 1.15 5.68 -1.26 -2.16 116.55 115.74 3a4k n ASP 295 Ca 0.00 0.39 0.12 0.00 -0.50 0.00 0.00 54.79 54.81 3a4k n ASP 295 Cb 0.31 -0.46 0.58 0.00 -1.14 0.00 0.00 41.12 40.41 3a4k n ASP 295 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3a4k n ARG 296 N -1.46 0.19 0.16 0.11 5.12 -0.97 -2.72 116.66 117.09 3a4k n ARG 296 Ca 0.06 0.06 0.04 0.00 -1.93 0.00 0.00 57.85 56.08 3a4k n ARG 296 Cb 0.21 -1.50 0.08 0.00 -1.16 0.00 0.00 32.46 30.10 3a4k n ARG 296 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3a4k h LEU 297 N 0.00 0.00 -1.49 0.55 3.38 -1.62 -3.48 115.31 112.65 3a4k h LEU 297 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 3a4k h LEU 297 Cb 0.32 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.17 3a4k h LEU 297 CO 0.00 0.42 -0.78 -1.22 0.09 0.00 0.00 178.44 176.95 3a4k n TYR 298 N -3.23 -2.20 -0.21 1.13 4.01 -1.10 -5.21 117.16 110.34 3a4k n TYR 298 Ca 0.02 0.91 0.00 0.00 -0.16 0.00 0.00 57.90 58.67 3a4k n TYR 298 Cb 0.68 -4.68 0.00 0.00 -0.31 0.00 0.00 39.34 35.04 3a4k n TYR 298 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68